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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2006-05-22 14:17:38 UTC

Update Date

2021-09-14 14:57:27 UTC

HMDB ID

HMDB0002140

Secondary Accession Numbers

HMDB02140

Metabolite Identification

Common Name

Pteroyl-D-glutamic acid

Description

The active metabolite of Folic acid, is used principally as its calcium salt as an antidote to folic acid antagonists which block the conversion of folic acid to folinic acid. Folic acid, a water-soluble B-complex vitamin, is found in foods such as liver, kidneys, yeast, and leafy, green vegetables. Folic acid is used to diagnose folate deficiency and to treat topical sprue and megaloblastic and macrocytic anemias, hematologic complications resulting from a deficiency in folic acid. A member of the vitamin B family that stimulates the hematopoietic system. It is present in the liver and kidney and is found in mushrooms, spinach, yeast, green leaves, and grasses (poaceae). Folic acid is used in the treatment and prevention of folate deficiencies and megaloblastic anemia.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv0541 02231219232D          

 34 36  0  0  1  0            999 V2000
   25.9773  -12.2183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.8204  -12.6022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5334  -13.4272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6755  -12.6022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3900  -11.3647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6755  -15.0773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1045  -15.0773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5349  -11.3647    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5349   -9.7147    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.3914  -10.9522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.9869   -9.6860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.7344  -10.9694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.8190  -12.1897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.4473   -9.6948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.8204  -10.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8204  -10.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1059  -11.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2493  -10.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2493  -10.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9869  -11.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5349  -12.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6769  -11.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7344  -10.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9624  -10.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6769  -12.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1045  -12.6022    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.1045  -13.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2480  -12.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2480  -11.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9624  -12.6022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5334  -12.6022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3900  -13.8398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3900  -12.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3900  -14.6648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  2  0  0  0  0
  2 21  2  0  0  0  0
  3 31  2  0  0  0  0
  4 33  1  0  0  0  0
  5 33  2  0  0  0  0
  6 34  1  0  0  0  0
  7 34  2  0  0  0  0
  8 15  1  0  0  0  0
  8 18  1  0  0  0  0
  8 21  1  0  0  0  0
  9 16  1  0  0  0  0
  9 19  1  0  0  0  0
 10 17  1  0  0  0  0
 10 22  1  0  0  0  0
 11 19  1  0  0  0  0
 11 23  1  0  0  0  0
 12 20  1  0  0  0  0
 12 23  2  0  0  0  0
 26 13  1  6  0  0  0
 13 31  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 24 29  1  0  0  0  0
 25 30  2  0  0  0  0
 26 27  1  0  0  0  0
 26 33  1  0  0  0  0
 27 32  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 32 34  1  0  0  0  0
M  END

HMDB0002140
     RDKit          3D
Pteroyl-D-glutamic acid
 57 59  0  0  0  0  0  0  0  0999 V2000
   -8.8192   -1.2990   -2.1919 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6211   -0.9985   -1.4629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0510   -1.8907   -0.6371 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9512   -1.6650    0.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5000   -2.5705    0.8410 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3297   -0.4517    0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9142    0.4789   -0.8409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0355    0.2277   -1.5702 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3224    1.7745   -0.9145 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4986    2.2820    0.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7610    1.2767    0.9017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3001    1.5101    0.9051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6264    1.5409   -0.3992 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2376    1.2305   -0.3254 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0877   -0.0108    0.2329 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3360   -0.3990    0.4673 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4668    0.4510    0.1546 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6578   -0.1857    0.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9574   -0.0027    1.8329 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5164   -0.9988   -0.1544 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6138   -1.7130    0.5542 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9290   -1.2197    0.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0930    0.2321    0.4181 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4279    0.7483    0.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3140    0.0287   -0.4574 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6862    2.0998    0.2650 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3972   -3.1379    0.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1517   -3.6996   -0.7017 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2842   -3.8009    0.6431 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1517    1.6434   -0.3908 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8079    2.0303   -0.6308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1636   -0.1148    0.7166 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2942   -1.0823    1.2401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3418   -2.2943    0.9139 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6141   -1.7307   -1.6778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9196   -1.0920   -3.1909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4265    0.9453   -2.1672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5101    2.3877   -1.7671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7497    2.9730   -0.3586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1418    2.9767    0.7483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0674    1.4674    1.9998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7235    0.8988    1.6479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1606    2.5784    1.3121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1050    1.7487   -1.2446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7565   -0.6330    0.4520 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5269   -1.3594    0.8970 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4186   -1.1363   -1.1631 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4709   -1.6736    1.6473 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0281   -1.3802   -1.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7097   -1.8508    0.5854 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9623    0.3766    1.5041 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3412    0.8052   -0.2010 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2074    2.8396   -0.2079 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3572   -3.6358    0.1493 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9411    2.3378   -0.6615 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6154    3.0073   -1.0768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5155   -0.8705    1.9744 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 21 27  1  0
 27 28  2  0
 27 29  1  0
 17 30  1  0
 30 31  2  0
 11 32  1  0
 32 33  1  0
 33 34  2  0
  8  2  1  0
 31 14  1  0
 32  6  1  0
  1 35  1  0
  1 36  1  0
  8 37  1  0
  9 38  1  0
 10 39  1  0
 10 40  1  0
 11 41  1  0
 12 42  1  0
 12 43  1  0
 13 44  1  0
 15 45  1  0
 16 46  1  0
 20 47  1  0
 21 48  1  1
 22 49  1  0
 22 50  1  0
 23 51  1  0
 23 52  1  0
 26 53  1  0
 29 54  1  0
 30 55  1  0
 31 56  1  0
 33 57  1  0
M  END


  Mrv0541 02231219232D          

 34 36  0  0  1  0            999 V2000
   25.9773  -12.2183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.8204  -12.6022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5334  -13.4272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6755  -12.6022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3900  -11.3647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6755  -15.0773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1045  -15.0773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5349  -11.3647    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5349   -9.7147    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.3914  -10.9522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.9869   -9.6860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.7344  -10.9694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.8190  -12.1897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.4473   -9.6948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.8204  -10.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8204  -10.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1059  -11.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2493  -10.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2493  -10.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9869  -11.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5349  -12.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6769  -11.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7344  -10.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9624  -10.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6769  -12.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1045  -12.6022    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.1045  -13.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2480  -12.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2480  -11.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9624  -12.6022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5334  -12.6022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3900  -13.8398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3900  -12.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3900  -14.6648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  2  0  0  0  0
  2 21  2  0  0  0  0
  3 31  2  0  0  0  0
  4 33  1  0  0  0  0
  5 33  2  0  0  0  0
  6 34  1  0  0  0  0
  7 34  2  0  0  0  0
  8 15  1  0  0  0  0
  8 18  1  0  0  0  0
  8 21  1  0  0  0  0
  9 16  1  0  0  0  0
  9 19  1  0  0  0  0
 10 17  1  0  0  0  0
 10 22  1  0  0  0  0
 11 19  1  0  0  0  0
 11 23  1  0  0  0  0
 12 20  1  0  0  0  0
 12 23  2  0  0  0  0
 26 13  1  6  0  0  0
 13 31  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 24 29  1  0  0  0  0
 25 30  2  0  0  0  0
 26 27  1  0  0  0  0
 26 33  1  0  0  0  0
 27 32  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 32 34  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0002140

> <DATABASE_NAME>
hmdb

> <SMILES>
NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@H](CCC(O)=O)C(O)=O)N2C=O)N1

> <INCHI_IDENTIFIER>
InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12?,13-/m1/s1

> <INCHI_KEY>
VVIAGPKUTFNRDU-ZGTCLIOFSA-N

> <FORMULA>
C20H23N7O7

> <MOLECULAR_WEIGHT>
473.4393

> <EXACT_MASS>
473.165896125

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
46.52787329633016

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-2-[(4-{[(2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid

> <ALOGPS_LOGP>
-1.06

> <JCHEM_LOGP>
-3.8975205784558984

> <ALOGPS_LOGS>
-3.20

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.7631045615370136

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.2757192798576944

> <JCHEM_PKA_STRONGEST_BASIC>
2.9404495273574884

> <JCHEM_POLAR_SURFACE_AREA>
215.55

> <JCHEM_REFRACTIVITY>
126.462

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.00e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
Pga

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0002140
     RDKit          3D
Pteroyl-D-glutamic acid
 57 59  0  0  0  0  0  0  0  0999 V2000
   -8.8192   -1.2990   -2.1919 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6211   -0.9985   -1.4629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0510   -1.8907   -0.6371 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9512   -1.6650    0.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5000   -2.5705    0.8410 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3297   -0.4517    0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9142    0.4789   -0.8409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0355    0.2277   -1.5702 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3224    1.7745   -0.9145 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4986    2.2820    0.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7610    1.2767    0.9017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3001    1.5101    0.9051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6264    1.5409   -0.3992 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2376    1.2305   -0.3254 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0877   -0.0108    0.2329 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3360   -0.3990    0.4673 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4668    0.4510    0.1546 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6578   -0.1857    0.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9574   -0.0027    1.8329 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5164   -0.9988   -0.1544 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6138   -1.7130    0.5542 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9290   -1.2197    0.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0930    0.2321    0.4181 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4279    0.7483    0.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3140    0.0287   -0.4574 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6862    2.0998    0.2650 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3972   -3.1379    0.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1517   -3.6996   -0.7017 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2842   -3.8009    0.6431 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1517    1.6434   -0.3908 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8079    2.0303   -0.6308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1636   -0.1148    0.7166 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2942   -1.0823    1.2401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3418   -2.2943    0.9139 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6141   -1.7307   -1.6778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9196   -1.0920   -3.1909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4265    0.9453   -2.1672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5101    2.3877   -1.7671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7497    2.9730   -0.3586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1418    2.9767    0.7483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0674    1.4674    1.9998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7235    0.8988    1.6479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1606    2.5784    1.3121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1050    1.7487   -1.2446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7565   -0.6330    0.4520 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5269   -1.3594    0.8970 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4186   -1.1363   -1.1631 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4709   -1.6736    1.6473 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0281   -1.3802   -1.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7097   -1.8508    0.5854 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9623    0.3766    1.5041 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3412    0.8052   -0.2010 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2074    2.8396   -0.2079 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3572   -3.6358    0.1493 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9411    2.3378   -0.6615 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6154    3.0073   -1.0768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5155   -0.8705    1.9744 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 21 27  1  0
 27 28  2  0
 27 29  1  0
 17 30  1  0
 30 31  2  0
 11 32  1  0
 32 33  1  0
 33 34  2  0
  8  2  1  0
 31 14  1  0
 32  6  1  0
  1 35  1  0
  1 36  1  0
  8 37  1  0
  9 38  1  0
 10 39  1  0
 10 40  1  0
 11 41  1  0
 12 42  1  0
 12 43  1  0
 13 44  1  0
 15 45  1  0
 16 46  1  0
 20 47  1  0
 21 48  1  1
 22 49  1  0
 22 50  1  0
 23 51  1  0
 23 52  1  0
 26 53  1  0
 29 54  1  0
 30 55  1  0
 31 56  1  0
 33 57  1  0
M  END

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  O   UNK     0      48.491 -22.807   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      44.465 -23.524   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      36.462 -25.064   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      31.128 -23.524   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      32.461 -21.214   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      31.128 -28.144   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      33.795 -28.144   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0      45.798 -21.214   0.000  0.00  0.00           N+0
HETATM    9  N   UNK     0      45.798 -18.134   0.000  0.00  0.00           N+0
HETATM   10  N   UNK     0      41.797 -20.444   0.000  0.00  0.00           N+0
HETATM   11  N   UNK     0      48.509 -18.081   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0      49.904 -20.476   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0      35.129 -22.754   0.000  0.00  0.00           N+0
HETATM   14  N   UNK     0      51.235 -18.097   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0      44.465 -20.444   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      44.465 -18.904   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      43.131 -21.214   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      47.132 -20.444   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      47.132 -18.904   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      48.509 -21.267   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      45.798 -22.754   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      40.464 -21.214   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      49.904 -18.872   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      39.130 -20.444   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      40.464 -22.754   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      33.795 -23.524   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      33.795 -25.064   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      37.796 -22.754   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      37.796 -21.214   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      39.130 -23.524   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      36.462 -23.524   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      32.461 -25.834   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      32.461 -22.754   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      32.461 -27.374   0.000  0.00  0.00           C+0
CONECT    1   20                                                            
CONECT    2   21                                                            
CONECT    3   31                                                            
CONECT    4   33                                                            
CONECT    5   33                                                            
CONECT    6   34                                                            
CONECT    7   34                                                            
CONECT    8   15   18   21                                                  
CONECT    9   16   19                                                       
CONECT   10   17   22                                                       
CONECT   11   19   23                                                       
CONECT   12   20   23                                                       
CONECT   13   26   31                                                       
CONECT   14   23                                                            
CONECT   15    8   16   17                                                  
CONECT   16    9   15                                                       
CONECT   17   10   15                                                       
CONECT   18    8   19   20                                                  
CONECT   19    9   11   18                                                  
CONECT   20    1   12   18                                                  
CONECT   21    2    8                                                       
CONECT   22   10   24   25                                                  
CONECT   23   11   12   14                                                  
CONECT   24   22   29                                                       
CONECT   25   22   30                                                       
CONECT   26   13   27   33                                                  
CONECT   27   26   32                                                       
CONECT   28   29   30   31                                                  
CONECT   29   24   28                                                       
CONECT   30   25   28                                                       
CONECT   31    3   13   28                                                  
CONECT   32   27   34                                                       
CONECT   33    4    5   26                                                  
CONECT   34    6    7   32                                                  
MASTER        0    0    0    0    0    0    0    0   34    0   72    0
END

COMPND    HMDB0002140
HETATM    1  N1  UNL     1      -8.819  -1.299  -2.192  1.00  0.00           N  
HETATM    2  C1  UNL     1      -7.621  -0.999  -1.463  1.00  0.00           C  
HETATM    3  N2  UNL     1      -7.051  -1.891  -0.637  1.00  0.00           N  
HETATM    4  C2  UNL     1      -5.951  -1.665   0.085  1.00  0.00           C  
HETATM    5  O1  UNL     1      -5.500  -2.570   0.841  1.00  0.00           O  
HETATM    6  C3  UNL     1      -5.330  -0.452   0.008  1.00  0.00           C  
HETATM    7  C4  UNL     1      -5.914   0.479  -0.841  1.00  0.00           C  
HETATM    8  N3  UNL     1      -7.035   0.228  -1.570  1.00  0.00           N  
HETATM    9  N4  UNL     1      -5.322   1.775  -0.915  1.00  0.00           N  
HETATM   10  C5  UNL     1      -4.499   2.282   0.118  1.00  0.00           C  
HETATM   11  C6  UNL     1      -3.761   1.277   0.902  1.00  0.00           C  
HETATM   12  C7  UNL     1      -2.300   1.510   0.905  1.00  0.00           C  
HETATM   13  N5  UNL     1      -1.626   1.541  -0.399  1.00  0.00           N  
HETATM   14  C8  UNL     1      -0.238   1.230  -0.325  1.00  0.00           C  
HETATM   15  C9  UNL     1       0.088  -0.011   0.233  1.00  0.00           C  
HETATM   16  C10 UNL     1       1.336  -0.399   0.467  1.00  0.00           C  
HETATM   17  C11 UNL     1       2.467   0.451   0.155  1.00  0.00           C  
HETATM   18  C12 UNL     1       3.658  -0.186   0.590  1.00  0.00           C  
HETATM   19  O2  UNL     1       3.957  -0.003   1.833  1.00  0.00           O  
HETATM   20  N6  UNL     1       4.516  -0.999  -0.154  1.00  0.00           N  
HETATM   21  C13 UNL     1       5.614  -1.713   0.554  1.00  0.00           C  
HETATM   22  C14 UNL     1       6.929  -1.220   0.096  1.00  0.00           C  
HETATM   23  C15 UNL     1       7.093   0.232   0.418  1.00  0.00           C  
HETATM   24  C16 UNL     1       8.428   0.748   0.040  1.00  0.00           C  
HETATM   25  O3  UNL     1       9.314   0.029  -0.457  1.00  0.00           O  
HETATM   26  O4  UNL     1       8.686   2.100   0.265  1.00  0.00           O  
HETATM   27  C17 UNL     1       5.397  -3.138   0.112  1.00  0.00           C  
HETATM   28  O5  UNL     1       6.152  -3.700  -0.702  1.00  0.00           O  
HETATM   29  O6  UNL     1       4.284  -3.801   0.643  1.00  0.00           O  
HETATM   30  C18 UNL     1       2.152   1.643  -0.391  1.00  0.00           C  
HETATM   31  C19 UNL     1       0.808   2.030  -0.631  1.00  0.00           C  
HETATM   32  N7  UNL     1      -4.164  -0.115   0.717  1.00  0.00           N  
HETATM   33  C20 UNL     1      -3.294  -1.082   1.240  1.00  0.00           C  
HETATM   34  O7  UNL     1      -3.342  -2.294   0.914  1.00  0.00           O  
HETATM   35  H1  UNL     1      -9.614  -1.731  -1.678  1.00  0.00           H  
HETATM   36  H2  UNL     1      -8.920  -1.092  -3.191  1.00  0.00           H  
HETATM   37  H3  UNL     1      -7.426   0.945  -2.167  1.00  0.00           H  
HETATM   38  H4  UNL     1      -5.510   2.388  -1.767  1.00  0.00           H  
HETATM   39  H5  UNL     1      -3.750   2.973  -0.359  1.00  0.00           H  
HETATM   40  H6  UNL     1      -5.142   2.977   0.748  1.00  0.00           H  
HETATM   41  H7  UNL     1      -4.067   1.467   2.000  1.00  0.00           H  
HETATM   42  H8  UNL     1      -1.723   0.899   1.648  1.00  0.00           H  
HETATM   43  H9  UNL     1      -2.161   2.578   1.312  1.00  0.00           H  
HETATM   44  H10 UNL     1      -2.105   1.749  -1.245  1.00  0.00           H  
HETATM   45  H11 UNL     1      -0.757  -0.633   0.452  1.00  0.00           H  
HETATM   46  H12 UNL     1       1.527  -1.359   0.897  1.00  0.00           H  
HETATM   47  H13 UNL     1       4.419  -1.136  -1.163  1.00  0.00           H  
HETATM   48  H14 UNL     1       5.471  -1.674   1.647  1.00  0.00           H  
HETATM   49  H15 UNL     1       7.028  -1.380  -1.007  1.00  0.00           H  
HETATM   50  H16 UNL     1       7.710  -1.851   0.585  1.00  0.00           H  
HETATM   51  H17 UNL     1       6.962   0.377   1.504  1.00  0.00           H  
HETATM   52  H18 UNL     1       6.341   0.805  -0.201  1.00  0.00           H  
HETATM   53  H19 UNL     1       8.207   2.840  -0.208  1.00  0.00           H  
HETATM   54  H20 UNL     1       3.357  -3.636   0.149  1.00  0.00           H  
HETATM   55  H21 UNL     1       2.941   2.338  -0.662  1.00  0.00           H  
HETATM   56  H22 UNL     1       0.615   3.007  -1.077  1.00  0.00           H  
HETATM   57  H23 UNL     1      -2.516  -0.870   1.974  1.00  0.00           H  
CONECT    1    2   35   36
CONECT    2    3    3    8
CONECT    3    4
CONECT    4    5    5    6
CONECT    6    7    7   32
CONECT    7    8    9
CONECT    8   37
CONECT    9   10   38
CONECT   10   11   39   40
CONECT   11   12   32   41
CONECT   12   13   42   43
CONECT   13   14   44
CONECT   14   15   15   31
CONECT   15   16   45
CONECT   16   17   17   46
CONECT   17   18   30
CONECT   18   19   19   20
CONECT   20   21   47
CONECT   21   22   27   48
CONECT   22   23   49   50
CONECT   23   24   51   52
CONECT   24   25   25   26
CONECT   26   53
CONECT   27   28   28   29
CONECT   29   54
CONECT   30   31   31   55
CONECT   31   56
CONECT   32   33
CONECT   33   34   34   57
END

HMDB0002140
     RDKit          3D
Pteroyl-D-glutamic acid
 57 59  0  0  0  0  0  0  0  0999 V2000
   -8.8192   -1.2990   -2.1919 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6211   -0.9985   -1.4629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0510   -1.8907   -0.6371 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9512   -1.6650    0.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5000   -2.5705    0.8410 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3297   -0.4517    0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9142    0.4789   -0.8409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0355    0.2277   -1.5702 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3224    1.7745   -0.9145 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4986    2.2820    0.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7610    1.2767    0.9017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3001    1.5101    0.9051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6264    1.5409   -0.3992 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2376    1.2305   -0.3254 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0877   -0.0108    0.2329 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3360   -0.3990    0.4673 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4668    0.4510    0.1546 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6578   -0.1857    0.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9574   -0.0027    1.8329 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5164   -0.9988   -0.1544 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6138   -1.7130    0.5542 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9290   -1.2197    0.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0930    0.2321    0.4181 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4279    0.7483    0.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3140    0.0287   -0.4574 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6862    2.0998    0.2650 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3972   -3.1379    0.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1517   -3.6996   -0.7017 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2842   -3.8009    0.6431 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1517    1.6434   -0.3908 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8079    2.0303   -0.6308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1636   -0.1148    0.7166 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2942   -1.0823    1.2401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3418   -2.2943    0.9139 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6141   -1.7307   -1.6778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9196   -1.0920   -3.1909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4265    0.9453   -2.1672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5101    2.3877   -1.7671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7497    2.9730   -0.3586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1418    2.9767    0.7483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0674    1.4674    1.9998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7235    0.8988    1.6479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1606    2.5784    1.3121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1050    1.7487   -1.2446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7565   -0.6330    0.4520 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5269   -1.3594    0.8970 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4186   -1.1363   -1.1631 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4709   -1.6736    1.6473 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0281   -1.3802   -1.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7097   -1.8508    0.5854 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9623    0.3766    1.5041 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3412    0.8052   -0.2010 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2074    2.8396   -0.2079 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3572   -3.6358    0.1493 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9411    2.3378   -0.6615 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6154    3.0073   -1.0768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5155   -0.8705    1.9744 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 21 27  1  0
 27 28  2  0
 27 29  1  0
 17 30  1  0
 30 31  2  0
 11 32  1  0
 32 33  1  0
 33 34  2  0
  8  2  1  0
 31 14  1  0
 32  6  1  0
  1 35  1  0
  1 36  1  0
  8 37  1  0
  9 38  1  0
 10 39  1  0
 10 40  1  0
 11 41  1  0
 12 42  1  0
 12 43  1  0
 13 44  1  0
 15 45  1  0
 16 46  1  0
 20 47  1  0
 21 48  1  1
 22 49  1  0
 22 50  1  0
 23 51  1  0
 23 52  1  0
 26 53  1  0
 29 54  1  0
 30 55  1  0
 31 56  1  0
 33 57  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Pteroyl-D-glutamate	Generator
Antianemia factor	HMDB
apo-Folic	HMDB
Leucovorin	HMDB
Mission prenatal	HMDB
Mittafol	HMDB
MVC Plus	HMDB
N-Pteroyl-D-glutamic acid	HMDB
N-[4-[[(2-amino-5-Formyl-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-D-glutamic acid	HMDB
Nifolin	HMDB
novo-Folacid	HMDB
Novofolacid	HMDB
Pteroylmonoglutamate	HMDB
Vitamin b11	HMDB
Vitaped	HMDB
(2R)-2-[(4-{[(5-formyl-4-hydroxy-2-imino-1,2,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioate	Generator, HMDB

Chemical Formula

C₂₀H₂₃N₇O₇

Average Molecular Weight

473.4393

Monoisotopic Molecular Weight

473.165896125

IUPAC Name

(2R)-2-[(4-{[(2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid

Traditional Name

Pga

CAS Registry Number

54353-24-1

SMILES

NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@H](CCC(O)=O)C(O)=O)N2C=O)N1

InChI Identifier

InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12?,13-/m1/s1

InChI Key

VVIAGPKUTFNRDU-ZGTCLIOFSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tetrahydrofolic acids. These are heterocyclic compounds based on the 5,6,7,8-tetrahydropteroic acid skeleton conjugated with at least one L-glutamic acid unit.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pteridines and derivatives

Sub Class

Pterins and derivatives

Direct Parent

Tetrahydrofolic acids

Alternative Parents

Substituents

Tetrahydrofolic acid
Glutamic acid or derivatives
N-acyl-alpha amino acid or derivatives
N-acyl-alpha-amino acid
Hippuric acid
Hippuric acid or derivatives
Alpha-amino acid or derivatives
Aminobenzamide
Aminobenzoic acid or derivatives
Benzamide
Benzoic acid or derivatives
Benzoyl
Aniline or substituted anilines
Phenylalkylamine
Aminopyrimidine
Secondary aliphatic/aromatic amine
Pyrimidone
Dicarboxylic acid or derivatives
Benzenoid
Pyrimidine
Monocyclic benzene moiety
Heteroaromatic compound
Vinylogous amide
Tertiary carboxylic acid amide
Secondary carboxylic acid amide
Amino acid or derivatives
Amino acid
Carboxamide group
Secondary amine
Carboxylic acid
Carboxylic acid derivative
Azacycle
Organooxygen compound
Carbonyl group
Organic nitrogen compound
Hydrocarbon derivative
Amine
Organic oxide
Organopnictogen compound
Organic oxygen compound
Primary amine
Organonitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Membrane (HMDB: HMDB0002140)

Source

Endogenous

Endogenous (HMDB: HMDB0002140)

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.3 g/L	ALOGPS
logP	-1.1	ALOGPS
logP	-3.9	ChemAxon
logS	-3.2	ALOGPS
pKa (Strongest Acidic)	3.28	ChemAxon
pKa (Strongest Basic)	2.94	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	215.55 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	126.46 m³·mol⁻¹	ChemAxon
Polarizability	46.53 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	208.757	31661259
DarkChem	[M-H]-	203.712	31661259
DeepCCS	[M+H]+	205.594	30932474
DeepCCS	[M-H]-	203.199	30932474
DeepCCS	[M-2H]-	236.083	30932474
DeepCCS	[M+Na]+	211.598	30932474
AllCCS	[M+H]+	203.4	32859911
AllCCS	[M+H-H2O]+	201.7	32859911
AllCCS	[M+NH4]+	205.0	32859911
AllCCS	[M+Na]+	205.5	32859911
AllCCS	[M-H]-	200.2	32859911
AllCCS	[M+Na-2H]-	200.9	32859911
AllCCS	[M+HCOO]-	201.9	32859911

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.	2.53 minutes	32390414
Predicted by Siyang on May 30, 2022	10.5859 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	8.29 minutes	32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid	362.5 seconds	40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	492.8 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	195.6 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	94.2 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	163.6 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	59.0 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	247.1 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	351.0 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	888.0 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	612.2 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	173.1 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	841.2 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	203.7 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	232.0 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	540.9 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	421.5 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	404.1 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Pteroyl-D-glutamic acid	NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@H](CCC(O)=O)C(O)=O)N2C=O)N1	5837.3	Standard polar	33892256
Pteroyl-D-glutamic acid	NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@H](CCC(O)=O)C(O)=O)N2C=O)N1	4179.4	Standard non polar	33892256
Pteroyl-D-glutamic acid	NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@H](CCC(O)=O)C(O)=O)N2C=O)N1	5165.1	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Pteroyl-D-glutamic acid,1TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)C(=O)O	4888.9	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,1TMS,isomer #2	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1	4873.2	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,1TMS,isomer #3	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C3)N2C=O)[NH]1	5055.9	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,1TMS,isomer #4	C[Si](C)(C)N1CC(CNC2=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C2)N(C=O)C2=C1[NH]C(N)=NC2=O	4763.2	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,1TMS,isomer #5	C[Si](C)(C)N(CC1CNC2=C(C(=O)N=C(N)[NH]2)N1C=O)C1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C1	4852.2	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,1TMS,isomer #6	C[Si](C)(C)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[C@H](CCC(=O)O)C(=O)O	4841.3	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,1TMS,isomer #7	C[Si](C)(C)N1C(N)=NC(=O)C2=C1NCC(CNC1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C1)N2C=O	4894.0	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)C(=O)O[Si](C)(C)C	4673.0	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TMS,isomer #10	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1	4525.0	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TMS,isomer #11	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1	4684.0	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TMS,isomer #12	C[Si](C)(C)N(C1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C3)N2C=O)[NH]1)[Si](C)(C)C	4845.5	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TMS,isomer #13	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C	4883.5	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TMS,isomer #14	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CNC1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C1)N2C=O	4754.4	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TMS,isomer #15	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C3)[Si](C)(C)C)N2C=O)[NH]1	4849.4	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TMS,isomer #16	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)N2C=O)[NH]1	4834.5	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TMS,isomer #17	C[Si](C)(C)N(CC1CN([Si](C)(C)C)C2=C(C(=O)N=C(N)[NH]2)N1C=O)C1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C1	4518.4	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TMS,isomer #18	C[Si](C)(C)N1CC(CNC2=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C2)N(C=O)C2=C1[NH]C(N)=NC2=O	4487.9	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TMS,isomer #19	C[Si](C)(C)N1CC(CNC2=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C2)N(C=O)C2=C1N([Si](C)(C)C)C(N)=NC2=O	4604.4	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TMS,isomer #2	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)N2C=O)[NH]1	4835.2	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TMS,isomer #20	C[Si](C)(C)N(CC1CNC2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1C=O)C1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C1	4666.0	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TMS,isomer #21	C[Si](C)(C)N(CC1CNC2=C(C(=O)N=C(N)[NH]2)N1C=O)C1=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	4578.1	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TMS,isomer #22	C[Si](C)(C)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)[C@H](CCC(=O)O)C(=O)O	4631.2	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C	4614.9	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)C(=O)O	4618.5	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)C(=O)O	4523.9	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TMS,isomer #6	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)C(=O)O	4691.1	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TMS,isomer #7	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)N2C=O)[NH]1	4832.3	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TMS,isomer #8	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C	4643.3	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TMS,isomer #9	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1	4611.4	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #1	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)N2C=O)[NH]1	4673.4	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #1	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)N2C=O)[NH]1	4211.1	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #1	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)N2C=O)[NH]1	6865.4	Standard polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #10	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N([C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)N2C=O)[NH]1	4629.2	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #10	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N([C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)N2C=O)[NH]1	4265.2	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #10	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N([C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)N2C=O)[NH]1	6890.5	Standard polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #11	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4410.9	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #11	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4104.0	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #11	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	6561.4	Standard polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #12	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C	4312.7	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #12	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C	4160.1	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #12	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C	6549.3	Standard polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #13	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	4488.4	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #13	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	4181.3	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #13	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	6882.9	Standard polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #14	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)C(=O)O	4334.2	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #14	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)C(=O)O	4193.6	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #14	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)C(=O)O	6492.5	Standard polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #15	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)C(=O)O	4508.7	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #15	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)C(=O)O	4184.3	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #15	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)C(=O)O	6804.2	Standard polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #16	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)C(=O)O	4470.2	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #16	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)C(=O)O	4254.5	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #16	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)C(=O)O	6738.7	Standard polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #17	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1	4664.3	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #17	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1	4328.5	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #17	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1	6669.3	Standard polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #18	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4714.3	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #18	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4313.3	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #18	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	6852.1	Standard polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #19	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CNC1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C1)N2C=O	4563.3	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #19	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CNC1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C1)N2C=O	4258.1	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #19	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CNC1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C1)N2C=O	6518.3	Standard polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C	4499.7	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C	4078.3	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C	6678.5	Standard polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #20	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)[NH]1	4654.4	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #20	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)[NH]1	4223.9	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #20	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)[NH]1	6729.7	Standard polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #21	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)N2C=O)[NH]1	4648.9	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #21	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)N2C=O)[NH]1	4235.5	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #21	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)N2C=O)[NH]1	6842.3	Standard polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #22	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4426.0	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #22	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4076.3	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #22	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	6514.1	Standard polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #23	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C	4331.4	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #23	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C	4123.2	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #23	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C	6505.4	Standard polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #24	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	4499.7	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #24	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	4147.6	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #24	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	6835.4	Standard polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #25	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1	4331.0	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #25	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1	4148.1	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #25	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1	6417.7	Standard polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #26	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1	4496.2	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #26	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1	4155.0	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #26	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1	6724.1	Standard polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #27	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1	4458.3	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #27	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1	4214.2	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #27	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1	6661.8	Standard polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #28	C[Si](C)(C)N(C1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C)[Si](C)(C)C	4743.3	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #28	C[Si](C)(C)N(C1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C)[Si](C)(C)C	4467.3	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #28	C[Si](C)(C)N(C1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C)[Si](C)(C)C	6800.3	Standard polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #29	C[Si](C)(C)N1CC(CNC2=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C2)N(C=O)C2=C1[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	4590.4	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #29	C[Si](C)(C)N1CC(CNC2=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C2)N(C=O)C2=C1[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	4410.5	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #29	C[Si](C)(C)N1CC(CNC2=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C2)N(C=O)C2=C1[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	6455.1	Standard polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	4471.1	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	4064.7	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	6580.4	Standard polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #30	C[Si](C)(C)N(CC1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1C=O)C1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C1	4695.2	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #30	C[Si](C)(C)N(CC1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1C=O)C1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C1	4394.9	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #30	C[Si](C)(C)N(CC1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1C=O)C1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C1	6607.2	Standard polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #31	C[Si](C)(C)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)[C@H](CCC(=O)O)C(=O)O	4629.7	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #31	C[Si](C)(C)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)[C@H](CCC(=O)O)C(=O)O	4363.3	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #31	C[Si](C)(C)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)[C@H](CCC(=O)O)C(=O)O	6699.8	Standard polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #32	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C	4639.6	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #32	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C	4406.4	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #32	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C	6523.0	Standard polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #33	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4705.4	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #33	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4359.0	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #33	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	6786.8	Standard polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #34	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4659.6	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #34	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4355.1	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #34	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	6880.5	Standard polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #35	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CN(C1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C1)[Si](C)(C)C)N2C=O	4576.5	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #35	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CN(C1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C1)[Si](C)(C)C)N2C=O	4336.0	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #35	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CN(C1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C1)[Si](C)(C)C)N2C=O	6462.0	Standard polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #36	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CNC1=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1)N2C=O	4543.7	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #36	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CNC1=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1)N2C=O	4297.3	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #36	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CNC1=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1)N2C=O	6536.6	Standard polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #37	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)[NH]1	4628.5	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #37	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)[NH]1	4257.6	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #37	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)[NH]1	6743.3	Standard polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #38	C[Si](C)(C)N(CC1CN([Si](C)(C)C)C2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1C=O)C1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C1	4449.6	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #38	C[Si](C)(C)N(CC1CN([Si](C)(C)C)C2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1C=O)C1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C1	4289.9	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #38	C[Si](C)(C)N(CC1CN([Si](C)(C)C)C2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1C=O)C1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C1	6592.0	Standard polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #39	C[Si](C)(C)N(CC1CN([Si](C)(C)C)C2=C(C(=O)N=C(N)[NH]2)N1C=O)C1=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	4299.5	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #39	C[Si](C)(C)N(CC1CN([Si](C)(C)C)C2=C(C(=O)N=C(N)[NH]2)N1C=O)C1=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	4186.1	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #39	C[Si](C)(C)N(CC1CN([Si](C)(C)C)C2=C(C(=O)N=C(N)[NH]2)N1C=O)C1=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	6401.7	Standard polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)C(=O)O[Si](C)(C)C	4362.8	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)C(=O)O[Si](C)(C)C	4120.4	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)C(=O)O[Si](C)(C)C	6567.3	Standard polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #40	C[Si](C)(C)N1CC(CNC2=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C2)N(C=O)C2=C1N([Si](C)(C)C)C(N)=NC2=O	4401.2	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #40	C[Si](C)(C)N1CC(CNC2=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C2)N(C=O)C2=C1N([Si](C)(C)C)C(N)=NC2=O	4233.2	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #40	C[Si](C)(C)N1CC(CNC2=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C2)N(C=O)C2=C1N([Si](C)(C)C)C(N)=NC2=O	6662.8	Standard polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #41	C[Si](C)(C)N(CC1CNC2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1C=O)C1=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	4447.3	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #41	C[Si](C)(C)N(CC1CNC2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1C=O)C1=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	4189.5	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #41	C[Si](C)(C)N(CC1CNC2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1C=O)C1=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	6725.1	Standard polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)C(=O)O[Si](C)(C)C	4551.9	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)C(=O)O[Si](C)(C)C	4140.5	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)C(=O)O[Si](C)(C)C	6888.4	Standard polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #6	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)C(=O)O	4666.7	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #6	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)C(=O)O	4372.8	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #6	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)C(=O)O	6750.3	Standard polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #7	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C	4711.7	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #7	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C	4349.6	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #7	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C	6929.6	Standard polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #8	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CNC1=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C1)N2C=O	4574.0	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #8	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CNC1=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C1)N2C=O	4301.6	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #8	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CNC1=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C1)N2C=O	6587.8	Standard polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #9	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)[Si](C)(C)C)N2C=O)[NH]1	4657.9	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #9	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)[Si](C)(C)C)N2C=O)[NH]1	4273.6	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TMS,isomer #9	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)[Si](C)(C)C)N2C=O)[NH]1	6809.1	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)C(=O)O[Si](C)(C)C	4560.6	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)C(=O)O[Si](C)(C)C	4237.5	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)C(=O)O[Si](C)(C)C	6238.7	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #10	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	4413.5	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #10	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	4047.4	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #10	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	6419.4	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #11	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)C(=O)O[Si](C)(C)C	4345.6	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #11	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)C(=O)O[Si](C)(C)C	4155.8	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #11	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)C(=O)O[Si](C)(C)C	6385.9	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #12	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)[Si](C)(C)C	4485.4	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #12	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)[Si](C)(C)C	4301.8	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #12	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)[Si](C)(C)C	6271.7	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #13	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)[Si](C)(C)C)C=C1)C(=O)O	4552.0	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #13	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)[Si](C)(C)C)C=C1)C(=O)O	4282.4	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #13	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)[Si](C)(C)C)C=C1)C(=O)O	6190.9	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #14	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)C(=O)O	4469.8	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #14	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)C(=O)O	4336.6	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #14	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)C(=O)O	6072.7	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #15	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1)C(=O)O	4614.3	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #15	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1)C(=O)O	4358.8	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #15	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1)C(=O)O	6332.1	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #16	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C	4506.8	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #16	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C	4324.8	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #16	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C	6142.5	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #17	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4577.1	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #17	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4226.7	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #17	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	6398.9	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #18	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N([C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4529.9	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #18	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N([C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4261.3	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #18	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N([C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	6479.9	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #19	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CN(C1=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C1)[Si](C)(C)C)N2C=O	4438.7	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #19	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CN(C1=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C1)[Si](C)(C)C)N2C=O	4222.7	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #19	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CN(C1=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C1)[Si](C)(C)C)N2C=O	6094.0	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #2	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4611.2	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #2	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4200.2	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #2	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	6451.5	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #20	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CNC1=CC=C(C(=O)N([C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C1)N2C=O	4408.5	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #20	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CNC1=CC=C(C(=O)N([C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C1)N2C=O	4227.5	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #20	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CNC1=CC=C(C(=O)N([C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C1)N2C=O	6166.5	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #21	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N([C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)[NH]1	4478.5	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #21	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N([C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)[NH]1	4148.2	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #21	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N([C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)[NH]1	6338.2	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #22	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4199.2	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #22	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4099.4	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #22	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	6116.5	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #23	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4351.9	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #23	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4101.1	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #23	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	6401.5	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #24	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	4283.0	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #24	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	4194.3	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #24	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	6369.1	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #25	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)C(=O)O	4340.0	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #25	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)C(=O)O	4202.5	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #25	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)C(=O)O	6301.1	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #26	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)[Si](C)(C)C	4499.9	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #26	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)[Si](C)(C)C	4284.7	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #26	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)[Si](C)(C)C	6234.4	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #27	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)[Si](C)(C)C)C=C1	4546.8	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #27	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)[Si](C)(C)C)C=C1	4261.6	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #27	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)[Si](C)(C)C)C=C1	6127.6	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #28	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1	4465.0	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #28	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1	4308.2	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #28	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1	6014.3	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #29	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1	4602.0	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #29	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1	4336.7	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #29	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1	6268.5	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #3	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CNC1=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C1)N2C=O	4456.2	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #3	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CNC1=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C1)N2C=O	4172.7	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #3	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CNC1=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C1)N2C=O	6125.7	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #30	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4513.4	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #30	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4299.9	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #30	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	6085.3	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #31	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4573.6	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #31	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4202.6	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #31	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	6337.3	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #32	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4548.4	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #32	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4245.7	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #32	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	6442.6	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #33	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CN(C1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C1)[Si](C)(C)C)N2C=O	4449.5	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #33	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CN(C1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C1)[Si](C)(C)C)N2C=O	4196.0	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #33	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CN(C1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C1)[Si](C)(C)C)N2C=O	6038.1	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #34	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CNC1=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C1)N2C=O	4419.9	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #34	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CNC1=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C1)N2C=O	4205.5	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #34	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CNC1=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C1)N2C=O	6134.1	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #35	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)[NH]1	4498.0	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #35	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)[NH]1	4132.3	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #35	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)[NH]1	6302.3	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #36	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4210.1	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #36	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4081.4	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #36	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	6081.7	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #37	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4368.8	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #37	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4090.4	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #37	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	6363.2	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #38	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	4313.2	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #38	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	4171.8	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #38	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	6333.5	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #39	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1	4345.3	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #39	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1	4181.0	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #39	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1	6237.9	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)[NH]1	4525.3	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)[NH]1	4090.6	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)[NH]1	6317.7	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #40	C[Si](C)(C)N1CC(CNC2=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C2)N(C=O)C2=C1N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	4554.5	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #40	C[Si](C)(C)N1CC(CNC2=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C2)N(C=O)C2=C1N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	4444.6	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #40	C[Si](C)(C)N1CC(CNC2=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C2)N(C=O)C2=C1N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	6030.7	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #41	C[Si](C)(C)N(CC1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)N1C=O)C1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C1	4609.9	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #41	C[Si](C)(C)N(CC1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)N1C=O)C1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C1	4369.9	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #41	C[Si](C)(C)N(CC1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)N1C=O)C1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C1	6204.7	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #42	C[Si](C)(C)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1)[C@H](CCC(=O)O)C(=O)O	4526.9	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #42	C[Si](C)(C)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1)[C@H](CCC(=O)O)C(=O)O	4385.3	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #42	C[Si](C)(C)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1)[C@H](CCC(=O)O)C(=O)O	6294.0	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #43	C[Si](C)(C)N(CC1CN([Si](C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1C=O)C1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C1	4485.8	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #43	C[Si](C)(C)N(CC1CN([Si](C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1C=O)C1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C1	4374.5	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #43	C[Si](C)(C)N(CC1CN([Si](C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1C=O)C1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C1	5956.5	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #44	C[Si](C)(C)N1CC(CNC2=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C2)N(C=O)C2=C1[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	4404.0	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #44	C[Si](C)(C)N1CC(CNC2=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C2)N(C=O)C2=C1[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	4357.3	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #44	C[Si](C)(C)N1CC(CNC2=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C2)N(C=O)C2=C1[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	6038.9	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #45	C[Si](C)(C)N(CC1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1C=O)C1=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	4500.6	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #45	C[Si](C)(C)N(CC1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1C=O)C1=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	4306.1	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #45	C[Si](C)(C)N(CC1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1C=O)C1=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	6144.8	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #46	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(CN(C3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4521.5	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #46	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(CN(C3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4349.1	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #46	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(CN(C3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	6021.0	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #47	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(CNC3=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4467.0	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #47	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(CNC3=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4335.4	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #47	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(CNC3=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	6104.2	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #48	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4517.4	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #48	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4245.7	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #48	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	6349.5	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #49	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CN(C1=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1)[Si](C)(C)C)N2C=O	4409.2	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #49	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CN(C1=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1)[Si](C)(C)C)N2C=O	4240.8	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #49	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CN(C1=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1)[Si](C)(C)C)N2C=O	6048.4	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #5	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N([C@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)N2C=O)[NH]1	4533.4	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #5	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N([C@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)N2C=O)[NH]1	4143.9	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #5	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N([C@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)N2C=O)[NH]1	6406.3	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #50	C[Si](C)(C)N(CC1CN([Si](C)(C)C)C2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1C=O)C1=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	4304.3	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #50	C[Si](C)(C)N(CC1CN([Si](C)(C)C)C2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1C=O)C1=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	4217.8	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #50	C[Si](C)(C)N(CC1CN([Si](C)(C)C)C2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1C=O)C1=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	6224.9	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #6	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4338.9	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #6	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	3999.4	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #6	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	6196.0	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #7	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C	4218.1	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #7	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C	4074.8	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #7	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C	6231.5	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #8	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	4414.6	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #8	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	4087.3	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #8	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	6517.6	Standard polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #9	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	4213.6	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #9	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	4055.3	Standard non polar	33892256
Pteroyl-D-glutamic acid,4TMS,isomer #9	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	6145.0	Standard polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)[Si](C)(C)C	4431.5	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)[Si](C)(C)C	4205.6	Standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)[Si](C)(C)C	5842.9	Standard polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #10	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N([C@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)[NH]1	4421.6	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #10	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N([C@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)[NH]1	4036.5	Standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #10	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N([C@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)[NH]1	5919.0	Standard polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #11	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(CC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4141.4	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #11	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(CC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4014.8	Standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #11	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(CC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	5840.2	Standard polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #12	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4328.3	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #12	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4009.7	Standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #12	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	6105.9	Standard polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #13	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	4231.4	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #13	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	4122.3	Standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #13	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	6097.8	Standard polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #14	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	4288.0	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #14	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	4093.1	Standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #14	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	6006.8	Standard polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #15	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4417.0	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #15	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4210.4	Standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #15	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	5780.1	Standard polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #16	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)[Si](C)(C)C	4328.1	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #16	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)[Si](C)(C)C	4294.0	Standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #16	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)[Si](C)(C)C	5701.6	Standard polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #17	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	4440.8	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #17	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	4300.9	Standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #17	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	5935.7	Standard polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #18	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)[Si](C)(C)C)C=C1)C(=O)O	4405.2	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #18	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)[Si](C)(C)C)C=C1)C(=O)O	4272.7	Standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #18	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)[Si](C)(C)C)C=C1)C(=O)O	5619.2	Standard polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #19	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)C(=O)O	4518.0	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #19	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)C(=O)O	4247.1	Standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #19	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)C(=O)O	5848.5	Standard polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	4475.6	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	4143.3	Standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	5744.2	Standard polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #20	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1)C(=O)O	4460.9	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #20	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1)C(=O)O	4374.1	Standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #20	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1)C(=O)O	5679.0	Standard polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #21	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(CN(C3=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4426.7	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #21	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(CN(C3=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4230.1	Standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #21	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(CN(C3=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	5687.7	Standard polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #22	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(CNC3=CC=C(C(=O)N([C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4365.1	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #22	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(CNC3=CC=C(C(=O)N([C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4264.9	Standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #22	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(CNC3=CC=C(C(=O)N([C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	5771.1	Standard polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #23	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N([C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4431.2	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #23	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N([C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4139.8	Standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #23	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N([C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	6004.0	Standard polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #24	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CN(C1=CC=C(C(=O)N([C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C1)[Si](C)(C)C)N2C=O	4325.3	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #24	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CN(C1=CC=C(C(=O)N([C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C1)[Si](C)(C)C)N2C=O	4152.8	Standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #24	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CN(C1=CC=C(C(=O)N([C@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C1)[Si](C)(C)C)N2C=O	5720.0	Standard polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #25	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4248.3	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #25	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4144.8	Standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #25	C[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	5989.3	Standard polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #26	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4427.5	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #26	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4205.9	Standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #26	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	5750.6	Standard polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #27	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)[Si](C)(C)C	4334.3	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #27	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)[Si](C)(C)C	4282.9	Standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #27	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)[Si](C)(C)C	5673.7	Standard polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #28	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	4447.2	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #28	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	4292.7	Standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #28	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1)[Si](C)(C)C	5906.5	Standard polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #29	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)[Si](C)(C)C)C=C1	4399.6	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #29	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)[Si](C)(C)C)C=C1	4260.6	Standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #29	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)[Si](C)(C)C)C=C1	5575.7	Standard polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)C(=O)O[Si](C)(C)C	4391.6	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)C(=O)O[Si](C)(C)C	4231.7	Standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]3)N2C=O)C=C1)C(=O)O[Si](C)(C)C	5653.0	Standard polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #30	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1	4511.2	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #30	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1	4242.4	Standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #30	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1	5800.4	Standard polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #31	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1	4457.5	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #31	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1	4359.2	Standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #31	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1	5634.1	Standard polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #32	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(CN(C3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4436.3	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #32	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(CN(C3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4222.6	Standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #32	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(CN(C3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	5642.6	Standard polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #33	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(CNC3=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4385.4	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #33	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(CNC3=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4255.0	Standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #33	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(CNC3=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	5744.2	Standard polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #34	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4450.5	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #34	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4135.9	Standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #34	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	5973.9	Standard polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #35	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CN(C1=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C)N2C=O	4335.8	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #35	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CN(C1=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C)N2C=O	4145.4	Standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #35	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CN(C1=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C)N2C=O	5692.2	Standard polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #36	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4267.6	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #36	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	4138.0	Standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #36	C[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2CN([Si](C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C)N2C=O)[Si](C)(C)C)C=C1)[Si](C)(C)C	5958.8	Standard polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #37	C[Si](C)(C)N(CC1CN([Si](C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)N1C=O)C1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C1	4511.3	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #37	C[Si](C)(C)N(CC1CN([Si](C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)N1C=O)C1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C1	4397.0	Standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #37	C[Si](C)(C)N(CC1CN([Si](C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)N1C=O)C1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C1	5581.1	Standard polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #38	C[Si](C)(C)N1CC(CNC2=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C2)N(C=O)C2=C1N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	4420.0	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #38	C[Si](C)(C)N1CC(CNC2=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C2)N(C=O)C2=C1N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	4404.8	Standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #38	C[Si](C)(C)N1CC(CNC2=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C2)N(C=O)C2=C1N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	5671.9	Standard polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #39	C[Si](C)(C)N(CC1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)N1C=O)C1=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	4462.7	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #39	C[Si](C)(C)N(CC1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)N1C=O)C1=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	4301.7	Standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #39	C[Si](C)(C)N(CC1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)N1C=O)C1=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	5829.3	Standard polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1)C(=O)O[Si](C)(C)C	4519.0	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1)C(=O)O[Si](C)(C)C	4234.3	Standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)N2C=O)C=C1)C(=O)O[Si](C)(C)C	5895.9	Standard polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #40	C[Si](C)(C)N(CC1CN([Si](C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1C=O)C1=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	4358.2	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #40	C[Si](C)(C)N(CC1CN([Si](C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1C=O)C1=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	4319.1	Standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #40	C[Si](C)(C)N(CC1CN([Si](C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1C=O)C1=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	5606.0	Standard polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #41	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(CN(C3=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4400.1	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #41	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(CN(C3=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4276.9	Standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #41	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(CN(C3=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	5669.0	Standard polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #5	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4400.7	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #5	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4213.5	Standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #5	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	5723.2	Standard polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #6	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4483.7	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #6	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	4073.9	Standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #6	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)N2C=O)N1[Si](C)(C)C	5974.1	Standard polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #7	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N([C@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4458.8	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #7	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N([C@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	4144.7	Standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #7	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N([C@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C	6070.1	Standard polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #8	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CN(C1=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C1)[Si](C)(C)C)N2C=O	4355.6	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #8	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CN(C1=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C1)[Si](C)(C)C)N2C=O	4091.6	Standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #8	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CN(C1=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C1)[Si](C)(C)C)N2C=O	5677.6	Standard polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #9	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CNC1=CC=C(C(=O)N([C@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C1)N2C=O	4323.9	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #9	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CNC1=CC=C(C(=O)N([C@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C1)N2C=O	4134.4	Standard non polar	33892256
Pteroyl-D-glutamic acid,5TMS,isomer #9	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(CNC1=CC=C(C(=O)N([C@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C1)N2C=O	5767.0	Standard polar	33892256
Pteroyl-D-glutamic acid,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)C(=O)O	5137.6	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1	5103.3	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C3)N2C=O)[NH]1	5227.2	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N1CC(CNC2=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C2)N(C=O)C2=C1[NH]C(N)=NC2=O	5002.3	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(CC1CNC2=C(C(=O)N=C(N)[NH]2)N1C=O)C1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C1	5067.4	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[C@H](CCC(=O)O)C(=O)O	5059.2	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N1C(N)=NC(=O)C2=C1NCC(CNC1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C1)N2C=O	5010.1	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	5160.8	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1	5021.3	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)C=C1	5108.0	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C3)N2C=O)[NH]1)[Si](C)(C)C(C)(C)C	5265.8	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C(C)(C)C	5246.0	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC(CNC1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C1)N2C=O	5141.4	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C3)[Si](C)(C)C(C)(C)C)N2C=O)[NH]1	5246.8	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)N2C=O)[NH]1	5225.2	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(CC1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N)[NH]2)N1C=O)C1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C1	5004.9	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N1CC(CNC2=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C2)N(C=O)C2=C1[NH]C(N)=NC2=O	4965.3	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N1CC(CNC2=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C2)N(C=O)C2=C1N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	4997.6	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C3)N2C=O)[NH]1	5263.0	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N(CC1CNC2=C(C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)N1C=O)C1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C1	5063.2	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(CC1CNC2=C(C(=O)N=C(N)[NH]2)N1C=O)C1=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C1	5051.2	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)C=C1)[C@H](CCC(=O)O)C(=O)O	5047.7	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C(C)(C)C	5103.9	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O	5123.4	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)C(=O)O	5029.1	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)C=C1)C(=O)O	5122.9	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)N2C=O)[NH]1	5247.4	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C(C)(C)C	5101.8	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C(C)(C)C)C=C1	5100.1	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)N2C=O)[NH]1	5247.6	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)N2C=O)[NH]1	4770.4	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)N2C=O)[NH]1	6556.2	Standard polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N([C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)N2C=O)[NH]1	5215.3	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N([C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)N2C=O)[NH]1	4792.0	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N([C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)N2C=O)[NH]1	6569.2	Standard polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	5073.6	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4595.0	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	6349.3	Standard polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(NCC2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C(C)(C)C	4975.3	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(NCC2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C(C)(C)C	4651.3	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(NCC2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C(C)(C)C	6382.2	Standard polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)C=C1)[Si](C)(C)C(C)(C)C	5117.0	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)C=C1)[Si](C)(C)C(C)(C)C	4681.8	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](C(=O)O)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)C=C1)[Si](C)(C)C(C)(C)C	6547.9	Standard polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O	5038.0	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O	4668.9	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O	6336.5	Standard polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O	5149.9	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O	4678.0	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O	6497.0	Standard polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)C=C1)C(=O)O	5086.2	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)C=C1)C(=O)O	4761.9	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)C=C1)C(=O)O	6499.8	Standard polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]3)N2C=O)C=C1	5285.4	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]3)N2C=O)C=C1	4873.5	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]3)N2C=O)C=C1	6380.5	Standard polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C(C)(C)C	5277.6	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C(C)(C)C	4850.3	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C(C)(C)C	6474.4	Standard polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC(CNC1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C1)N2C=O	5146.6	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC(CNC1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C1)N2C=O	4806.1	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC(CNC1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C1)N2C=O	6338.4	Standard polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C(C)(C)C	5117.8	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C(C)(C)C	4610.5	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C(C)(C)C	6437.9	Standard polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)N2C=O)[NH]1	5248.2	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)N2C=O)[NH]1	4760.2	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)N2C=O)[NH]1	6487.3	Standard polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C3)N2C=O)[NH]1	5207.7	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C3)N2C=O)[NH]1	4784.2	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C3)N2C=O)[NH]1	6552.0	Standard polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	5070.3	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4587.0	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	6326.7	Standard polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C(C)(C)C	4981.4	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C(C)(C)C	4632.5	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)[Si](C)(C)C(C)(C)C	6361.0	Standard polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)C=C1)[Si](C)(C)C(C)(C)C	5114.0	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)C=C1)[Si](C)(C)C(C)(C)C	4665.0	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)C=C1)[Si](C)(C)C(C)(C)C	6526.3	Standard polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C(C)(C)C)C=C1	5019.7	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C(C)(C)C)C=C1	4635.3	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C(C)(C)C)C=C1	6290.1	Standard polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)[Si](C)(C)C(C)(C)C)C=C1	5135.4	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)[Si](C)(C)C(C)(C)C)C=C1	4649.8	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)[Si](C)(C)C(C)(C)C)C=C1	6449.3	Standard polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)C=C1	5065.8	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)C=C1	4732.4	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)C=C1	6453.3	Standard polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N(C1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5327.8	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N(C1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4962.6	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N(C1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6405.6	Standard polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N1CC(CNC2=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C2)N(C=O)C2=C1[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	5198.6	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N1CC(CNC2=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C2)N(C=O)C2=C1[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	4915.3	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N1CC(CNC2=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C2)N(C=O)C2=C1[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	6255.9	Standard polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	5122.8	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	4591.0	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(N(CC2CNC3=C(C(=O)N=C(N)[NH]3)N2C=O)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	6365.9	Standard polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N(CC1CNC2=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2)N1C=O)C1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C1	5305.6	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N(CC1CNC2=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2)N1C=O)C1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C1	4885.7	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N(CC1CNC2=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2)N1C=O)C1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C1	6334.0	Standard polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]3)N2C=O)C=C1)[C@H](CCC(=O)O)C(=O)O	5237.1	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]3)N2C=O)C=C1)[C@H](CCC(=O)O)C(=O)O	4882.9	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]3)N2C=O)C=C1)[C@H](CCC(=O)O)C(=O)O	6387.6	Standard polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C(C)(C)C)CC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C(C)(C)C	5211.6	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C(C)(C)C)CC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C(C)(C)C	4930.3	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C(C)(C)C)CC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C(C)(C)C	6290.9	Standard polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C3)[Si](C)(C)C(C)(C)C)N2C=O)N1[Si](C)(C)C(C)(C)C	5298.8	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C3)[Si](C)(C)C(C)(C)C)N2C=O)N1[Si](C)(C)C(C)(C)C	4844.5	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C3)[Si](C)(C)C(C)(C)C)N2C=O)N1[Si](C)(C)C(C)(C)C	6431.8	Standard polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C(C)(C)C	5241.6	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C(C)(C)C	4859.5	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)N2C=O)N1[Si](C)(C)C(C)(C)C	6484.0	Standard polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC(CN(C1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C1)[Si](C)(C)C(C)(C)C)N2C=O	5180.7	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC(CN(C1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C1)[Si](C)(C)C(C)(C)C)N2C=O	4823.6	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC(CN(C1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C1)[Si](C)(C)C(C)(C)C)N2C=O	6306.0	Standard polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC(CNC1=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C1)N2C=O	5115.5	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC(CNC1=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C1)N2C=O	4817.7	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC(CNC1=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C1)N2C=O	6353.0	Standard polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)N2C=O)[NH]1	5230.8	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)N2C=O)[NH]1	4772.6	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)N2C=O)[NH]1	6489.8	Standard polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)N(CC1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)N1C=O)C1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C1	5094.2	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)N(CC1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)N1C=O)C1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C1	4754.1	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)N(CC1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)N1C=O)C1=CC=C(C(=O)N[C@H](CCC(=O)O)C(=O)O)C=C1	6397.1	Standard polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)N(CC1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N)[NH]2)N1C=O)C1=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C1	4987.4	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)N(CC1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N)[NH]2)N1C=O)C1=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C1	4645.8	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)N(CC1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N)[NH]2)N1C=O)C1=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C1	6279.7	Standard polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	5019.1	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	4652.2	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N=C(N)[NH]3)N2C=O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	6396.9	Standard polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)N1CC(CNC2=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C2)N(C=O)C2=C1N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	5040.4	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)N1CC(CNC2=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C2)N(C=O)C2=C1N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	4729.3	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)N1CC(CNC2=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C2)N(C=O)C2=C1N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	6448.9	Standard polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)N(CC1CNC2=C(C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)N1C=O)C1=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C1	5081.5	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)N(CC1CNC2=C(C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)N1C=O)C1=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C1	4666.7	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)N(CC1CNC2=C(C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)N1C=O)C1=CC=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C1	6443.1	Standard polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	5165.6	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	4676.9	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)N2C=O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	6560.4	Standard polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]3)N2C=O)C=C1)C(=O)O	5308.6	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]3)N2C=O)C=C1)C(=O)O	4900.2	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](NC(=O)C1=CC=C(NCC2CNC3=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]3)N2C=O)C=C1)C(=O)O	6422.7	Standard polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C(C)(C)C	5303.4	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C(C)(C)C	4870.0	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C3)N2C=O)N1[Si](C)(C)C(C)(C)C	6513.1	Standard polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC(CNC1=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C1)N2C=O	5158.1	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC(CNC1=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C1)N2C=O	4831.1	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC(CNC1=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C1)N2C=O	6376.9	Standard polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C3)[Si](C)(C)C(C)(C)C)N2C=O)[NH]1	5265.0	Semi standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C3)[Si](C)(C)C(C)(C)C)N2C=O)[NH]1	4782.8	Standard non polar	33892256
Pteroyl-D-glutamic acid,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(CN(C3=CC=C(C(=O)N[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C3)[Si](C)(C)C(C)(C)C)N2C=O)[NH]1	6528.1	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Pteroyl-D-glutamic acid GC-MS (Non-derivatized) - 70eV, Positive	splash10-004i-2422900000-61276ec015d5c3fb2297	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pteroyl-D-glutamic acid GC-MS (2 TMS) - 70eV, Positive	splash10-0uka-9427488000-cd9812c2233ee90808d9	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pteroyl-D-glutamic acid GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pteroyl-D-glutamic acid 10V, Positive-QTOF	splash10-0a6r-0020900000-1fdb7557d50b8b75dd4e	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pteroyl-D-glutamic acid 20V, Positive-QTOF	splash10-057i-0572900000-9baef8df5d92bf6da7a8	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pteroyl-D-glutamic acid 40V, Positive-QTOF	splash10-0kha-0691100000-14922cbaa4433ddf1cea	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pteroyl-D-glutamic acid 10V, Negative-QTOF	splash10-0fmi-0000900000-e3889708bf52096f1b7c	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pteroyl-D-glutamic acid 20V, Negative-QTOF	splash10-0fbc-0011900000-763f9f6ce64cd38ccc0f	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pteroyl-D-glutamic acid 40V, Negative-QTOF	splash10-0007-8894100000-22b9eb84c3e99ce6b4d9	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pteroyl-D-glutamic acid 10V, Negative-QTOF	splash10-004i-0000900000-56bf354a786254d088f4	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pteroyl-D-glutamic acid 20V, Negative-QTOF	splash10-0fb9-1220900000-d93259006e38248d26b4	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pteroyl-D-glutamic acid 40V, Negative-QTOF	splash10-0f6x-5920100000-575460bfef119781af80	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pteroyl-D-glutamic acid 10V, Positive-QTOF	splash10-00fr-0005900000-5985bdc6c069ecc00046	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pteroyl-D-glutamic acid 20V, Positive-QTOF	splash10-056s-1597400000-db859aadd61942f2e80b	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pteroyl-D-glutamic acid 40V, Positive-QTOF	splash10-05o0-0921000000-ddf359b6fc3776d45401	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Predicted Concentrations

Biospecimen	Value	Original age	Original sex	Original condition	Comments
Blood	0.000 uM	Adult (>18 years old)	Both	Normal	Predicted based on drug qualities
Blood	0.000 umol/mmol creatinine	Adult (>18 years old)	Both	Normal	Predicted based on drug qualities

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB022864

KNApSAcK ID

Not Available

Chemspider ID

49292

KEGG Compound ID

D01211

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

6507

PubChem Compound

54575

PDB ID

Not Available

ChEBI ID

474191

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for Pteroyl-D-glutamic acid (HMDB0002140)

MOL for HMDB0002140 (Pteroyl-D-glutamic acid)

3D MOL for HMDB0002140 (Pteroyl-D-glutamic acid)

3D SDF for HMDB0002140 (Pteroyl-D-glutamic acid)

3D-SDF for HMDB0002140 (Pteroyl-D-glutamic acid)

PDB for HMDB0002140 (Pteroyl-D-glutamic acid)

3D PDB for HMDB0002140 (Pteroyl-D-glutamic acid)

SMILES for HMDB0002140 (Pteroyl-D-glutamic acid)

INCHI for HMDB0002140 (Pteroyl-D-glutamic acid)

Structure for HMDB0002140 (Pteroyl-D-glutamic acid)

3D Structure for HMDB0002140 (Pteroyl-D-glutamic acid)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra