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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 10:32:39 UTC

Update Date

2021-09-26 23:05:18 UTC

HMDB ID

HMDB0252616

Secondary Accession Numbers

None

Metabolite Identification

Common Name

gamma-Glutamyl-5-hydroxytryptophan

Description

gamma-Glutamyl-5-hydroxytryptophan belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. Based on a literature review very few articles have been published on gamma-Glutamyl-5-hydroxytryptophan. This compound has been identified in human blood as reported by (PMID: 31557052 ). Gamma-glutamyl-5-hydroxytryptophan is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically gamma-Glutamyl-5-hydroxytryptophan is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

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

HMDB0252616
     RDKit          3D
gamma-Glutamyl-5-hydroxytryptophan
 44 45  0  0  0  0  0  0  0  0999 V2000
    2.4683   -2.9154   -0.8126 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4224   -1.6634   -0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7981   -1.0534   -0.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8460    0.2080    0.7675 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2436    0.7789    0.8047 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2074    0.2224    0.2398 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4141    1.9556    1.4976 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4614   -0.7280   -0.6558 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2005   -0.9555   -1.8638 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8714    0.3430    0.0582 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0831    1.2535   -0.4719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0300    0.6438   -1.5238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8471   -0.4466   -0.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -1.8096   -1.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7870   -2.3763   -0.2989 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5153   -1.3952    0.2608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6334   -1.3771    1.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1657   -0.1807    1.4928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6399    1.0390    1.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1869    2.2439    1.5531 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5123    0.9900    0.3034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9591   -0.1949   -0.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4304    2.5440   -0.8907 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6398    2.8459   -0.7934 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3921    3.5385   -1.4318 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3385   -3.4033   -0.5233 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6695   -3.4936   -0.4693 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0675   -1.9266    0.9771 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5553   -1.8070    0.3415 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1124   -0.8618   -1.0763 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4284    0.0942    1.7691 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2365    0.9676    0.1963 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3463    2.3095    1.7327 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1581    0.4697    1.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8405    1.4472    0.3999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7688    1.4570   -1.8218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5117    0.4011   -2.4538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0356   -2.3513   -1.6011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9564   -3.3959   -0.1965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0418   -2.3401    1.3615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0391   -0.1797    2.1329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9103    2.6330    0.9300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0872    1.9481   -0.0024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1862    4.5217   -1.3615 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  2  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 11 23  1  0
 23 24  2  0
 23 25  1  0
 22 13  1  0
 22 16  1  0
  1 26  1  0
  1 27  1  0
  2 28  1  0
  3 29  1  0
  3 30  1  0
  4 31  1  0
  4 32  1  0
  7 33  1  0
 10 34  1  0
 11 35  1  0
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 14 38  1  0
 15 39  1  0
 17 40  1  0
 18 41  1  0
 20 42  1  0
 21 43  1  0
 25 44  1  0
M  END


  Mrv1652309112112322D          

 25 26  0  0  0  0            999 V2000
   -0.4705   -0.1850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0226    0.4281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7676    1.2127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0393    1.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5914    0.7711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3364   -0.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8885   -0.6266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1256    2.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6281    2.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1801    1.9272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8400    2.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8400    3.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1256    3.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1256    4.6797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5889    3.4422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5545    3.8547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.6172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9835    3.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6979    3.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4124    3.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1269    3.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8413    3.8547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1269    2.6172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9835    4.6797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  3 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 19 25  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0252616

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(CCC(O)=O)C(=O)NC(CC1=CNC2=C1C=C(O)C=C2)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C16H19N3O6/c17-11(2-4-14(21)22)15(23)19-13(16(24)25)5-8-7-18-12-3-1-9(20)6-10(8)12/h1,3,6-7,11,13,18,20H,2,4-5,17H2,(H,19,23)(H,21,22)(H,24,25)

> <INCHI_KEY>
GJOHGZXBEHBULM-UHFFFAOYSA-N

> <FORMULA>
C16H19N3O6

> <MOLECULAR_WEIGHT>
349.343

> <EXACT_MASS>
349.127385344

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
34.59154622708386

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-amino-4-{[1-carboxy-2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

> <ALOGPS_LOGP>
-1.73

> <JCHEM_LOGP>
-2.5522156183575215

> <ALOGPS_LOGS>
-2.56

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
4.129365723966072

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.29506314287406

> <JCHEM_PKA_STRONGEST_BASIC>
8.41707250352489

> <JCHEM_POLAR_SURFACE_AREA>
165.73999999999998

> <JCHEM_REFRACTIVITY>
86.27149999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.55e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-amino-4-{[1-carboxy-2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0252616
     RDKit          3D
gamma-Glutamyl-5-hydroxytryptophan
 44 45  0  0  0  0  0  0  0  0999 V2000
    2.4683   -2.9154   -0.8126 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4224   -1.6634   -0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7981   -1.0534   -0.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8460    0.2080    0.7675 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2436    0.7789    0.8047 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2074    0.2224    0.2398 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4141    1.9556    1.4976 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4614   -0.7280   -0.6558 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2005   -0.9555   -1.8638 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8714    0.3430    0.0582 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0831    1.2535   -0.4719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0300    0.6438   -1.5238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8471   -0.4466   -0.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -1.8096   -1.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7870   -2.3763   -0.2989 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5153   -1.3952    0.2608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6334   -1.3771    1.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1657   -0.1807    1.4928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6399    1.0390    1.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1869    2.2439    1.5531 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5123    0.9900    0.3034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9591   -0.1949   -0.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4304    2.5440   -0.8907 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6398    2.8459   -0.7934 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3921    3.5385   -1.4318 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3385   -3.4033   -0.5233 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6695   -3.4936   -0.4693 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0675   -1.9266    0.9771 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5553   -1.8070    0.3415 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1124   -0.8618   -1.0763 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4284    0.0942    1.7691 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2365    0.9676    0.1963 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3463    2.3095    1.7327 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1581    0.4697    1.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8405    1.4472    0.3999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7688    1.4570   -1.8218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5117    0.4011   -2.4538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0356   -2.3513   -1.6011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9564   -3.3959   -0.1965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0418   -2.3401    1.3615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0391   -0.1797    2.1329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9103    2.6330    0.9300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0872    1.9481   -0.0024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1862    4.5217   -1.3615 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  2  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 11 23  1  0
 23 24  2  0
 23 25  1  0
 22 13  1  0
 22 16  1  0
  1 26  1  0
  1 27  1  0
  2 28  1  0
  3 29  1  0
  3 30  1  0
  4 31  1  0
  4 32  1  0
  7 33  1  0
 10 34  1  0
 11 35  1  0
 12 36  1  0
 12 37  1  0
 14 38  1  0
 15 39  1  0
 17 40  1  0
 18 41  1  0
 20 42  1  0
 21 43  1  0
 25 44  1  0
M  END

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0      -0.878  -0.345   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.909   0.799   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.433   2.264   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.073   2.584   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.104   1.439   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.628  -0.025   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       1.658  -1.170   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       0.234   4.115   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.172   4.742   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0      -2.203   3.597   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0       1.568   4.885   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.568   6.425   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.234   7.195   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       0.234   8.735   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      -1.099   6.425   0.000  0.00  0.00           O+0
HETATM   16  N   UNK     0       2.902   7.195   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0       4.235   6.425   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       4.235   4.885   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       5.569   7.195   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.903   6.425   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.236   7.195   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       9.570   6.425   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      10.904   7.195   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       9.570   4.885   0.000  0.00  0.00           O+0
HETATM   25  N   UNK     0       5.569   8.735   0.000  0.00  0.00           N+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4   10                                                  
CONECT    4    3    5    8                                                  
CONECT    5    4    6                                                       
CONECT    6    5    1    7                                                  
CONECT    7    6                                                            
CONECT    8    4    9   11                                                  
CONECT    9    8   10                                                       
CONECT   10    9    3                                                       
CONECT   11    8   12                                                       
CONECT   12   11   13   16                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16   12   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   25                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22                                                            
CONECT   25   19                                                            
MASTER        0    0    0    0    0    0    0    0   25    0   52    0
END

COMPND    HMDB0252616
HETATM    1  N1  UNL     1       2.468  -2.915  -0.813  1.00  0.00           N  
HETATM    2  C1  UNL     1       2.422  -1.663  -0.027  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.798  -1.053  -0.006  1.00  0.00           C  
HETATM    4  C3  UNL     1       3.846   0.208   0.768  1.00  0.00           C  
HETATM    5  C4  UNL     1       5.244   0.779   0.805  1.00  0.00           C  
HETATM    6  O1  UNL     1       6.207   0.222   0.240  1.00  0.00           O  
HETATM    7  O2  UNL     1       5.414   1.956   1.498  1.00  0.00           O  
HETATM    8  C5  UNL     1       1.461  -0.728  -0.656  1.00  0.00           C  
HETATM    9  O3  UNL     1       1.200  -0.956  -1.864  1.00  0.00           O  
HETATM   10  N2  UNL     1       0.871   0.343   0.058  1.00  0.00           N  
HETATM   11  C6  UNL     1      -0.083   1.254  -0.472  1.00  0.00           C  
HETATM   12  C7  UNL     1      -1.030   0.644  -1.524  1.00  0.00           C  
HETATM   13  C8  UNL     1      -1.847  -0.447  -0.949  1.00  0.00           C  
HETATM   14  C9  UNL     1      -1.786  -1.810  -1.025  1.00  0.00           C  
HETATM   15  N3  UNL     1      -2.787  -2.376  -0.299  1.00  0.00           N  
HETATM   16  C10 UNL     1      -3.515  -1.395   0.261  1.00  0.00           C  
HETATM   17  C11 UNL     1      -4.633  -1.377   1.080  1.00  0.00           C  
HETATM   18  C12 UNL     1      -5.166  -0.181   1.493  1.00  0.00           C  
HETATM   19  C13 UNL     1      -4.640   1.039   1.130  1.00  0.00           C  
HETATM   20  O4  UNL     1      -5.187   2.244   1.553  1.00  0.00           O  
HETATM   21  C14 UNL     1      -3.512   0.990   0.303  1.00  0.00           C  
HETATM   22  C15 UNL     1      -2.959  -0.195  -0.123  1.00  0.00           C  
HETATM   23  C16 UNL     1       0.430   2.544  -0.891  1.00  0.00           C  
HETATM   24  O5  UNL     1       1.640   2.846  -0.793  1.00  0.00           O  
HETATM   25  O6  UNL     1      -0.392   3.539  -1.432  1.00  0.00           O  
HETATM   26  H1  UNL     1       3.339  -3.403  -0.523  1.00  0.00           H  
HETATM   27  H2  UNL     1       1.670  -3.494  -0.469  1.00  0.00           H  
HETATM   28  H3  UNL     1       2.068  -1.927   0.977  1.00  0.00           H  
HETATM   29  H4  UNL     1       4.555  -1.807   0.341  1.00  0.00           H  
HETATM   30  H5  UNL     1       4.112  -0.862  -1.076  1.00  0.00           H  
HETATM   31  H6  UNL     1       3.428   0.094   1.769  1.00  0.00           H  
HETATM   32  H7  UNL     1       3.237   0.968   0.196  1.00  0.00           H  
HETATM   33  H8  UNL     1       6.346   2.310   1.733  1.00  0.00           H  
HETATM   34  H9  UNL     1       1.158   0.470   1.091  1.00  0.00           H  
HETATM   35  H10 UNL     1      -0.840   1.447   0.400  1.00  0.00           H  
HETATM   36  H11 UNL     1      -1.769   1.457  -1.822  1.00  0.00           H  
HETATM   37  H12 UNL     1      -0.512   0.401  -2.454  1.00  0.00           H  
HETATM   38  H13 UNL     1      -1.036  -2.351  -1.601  1.00  0.00           H  
HETATM   39  H14 UNL     1      -2.956  -3.396  -0.197  1.00  0.00           H  
HETATM   40  H15 UNL     1      -5.042  -2.340   1.361  1.00  0.00           H  
HETATM   41  H16 UNL     1      -6.039  -0.180   2.133  1.00  0.00           H  
HETATM   42  H17 UNL     1      -5.910   2.633   0.930  1.00  0.00           H  
HETATM   43  H18 UNL     1      -3.087   1.948  -0.002  1.00  0.00           H  
HETATM   44  H19 UNL     1      -0.186   4.522  -1.361  1.00  0.00           H  
CONECT    1    2   26   27
CONECT    2    3    8   28
CONECT    3    4   29   30
CONECT    4    5   31   32
CONECT    5    6    6    7
CONECT    7   33
CONECT    8    9    9   10
CONECT   10   11   34
CONECT   11   12   23   35
CONECT   12   13   36   37
CONECT   13   14   14   22
CONECT   14   15   38
CONECT   15   16   39
CONECT   16   17   17   22
CONECT   17   18   40
CONECT   18   19   19   41
CONECT   19   20   21
CONECT   20   42
CONECT   21   22   22   43
CONECT   23   24   24   25
CONECT   25   44
END

HMDB0252616
     RDKit          3D
gamma-Glutamyl-5-hydroxytryptophan
 44 45  0  0  0  0  0  0  0  0999 V2000
    2.4683   -2.9154   -0.8126 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4224   -1.6634   -0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7981   -1.0534   -0.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8460    0.2080    0.7675 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2436    0.7789    0.8047 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2074    0.2224    0.2398 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4141    1.9556    1.4976 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4614   -0.7280   -0.6558 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2005   -0.9555   -1.8638 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8714    0.3430    0.0582 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0831    1.2535   -0.4719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0300    0.6438   -1.5238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8471   -0.4466   -0.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -1.8096   -1.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7870   -2.3763   -0.2989 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5153   -1.3952    0.2608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6334   -1.3771    1.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1657   -0.1807    1.4928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6399    1.0390    1.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1869    2.2439    1.5531 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5123    0.9900    0.3034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9591   -0.1949   -0.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4304    2.5440   -0.8907 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6398    2.8459   -0.7934 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3921    3.5385   -1.4318 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3385   -3.4033   -0.5233 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6695   -3.4936   -0.4693 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0675   -1.9266    0.9771 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5553   -1.8070    0.3415 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1124   -0.8618   -1.0763 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4284    0.0942    1.7691 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2365    0.9676    0.1963 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3463    2.3095    1.7327 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1581    0.4697    1.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8405    1.4472    0.3999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7688    1.4570   -1.8218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5117    0.4011   -2.4538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0356   -2.3513   -1.6011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9564   -3.3959   -0.1965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0418   -2.3401    1.3615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0391   -0.1797    2.1329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9103    2.6330    0.9300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0872    1.9481   -0.0024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1862    4.5217   -1.3615 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  2  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 11 23  1  0
 23 24  2  0
 23 25  1  0
 22 13  1  0
 22 16  1  0
  1 26  1  0
  1 27  1  0
  2 28  1  0
  3 29  1  0
  3 30  1  0
  4 31  1  0
  4 32  1  0
  7 33  1  0
 10 34  1  0
 11 35  1  0
 12 36  1  0
 12 37  1  0
 14 38  1  0
 15 39  1  0
 17 40  1  0
 18 41  1  0
 20 42  1  0
 21 43  1  0
 25 44  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
g-Glutamyl-5-hydroxytryptophan	Generator
Γ-glutamyl-5-hydroxytryptophan	Generator
4-Amino-4-{[1-carboxy-2-(5-hydroxy-1H-indol-3-yl)ethyl]-C-hydroxycarbonimidoyl}butanoate	HMDB

Chemical Formula

C₁₆H₁₉N₃O₆

Average Molecular Weight

349.343

Monoisotopic Molecular Weight

349.127385344

IUPAC Name

4-amino-4-{[1-carboxy-2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

Traditional Name

4-amino-4-{[1-carboxy-2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

CAS Registry Number

Not Available

SMILES

NC(CCC(O)=O)C(=O)NC(CC1=CNC2=C1C=C(O)C=C2)C(O)=O

InChI Identifier

InChI=1S/C16H19N3O6/c17-11(2-4-14(21)22)15(23)19-13(16(24)25)5-8-7-18-12-3-1-9(20)6-10(8)12/h1,3,6-7,11,13,18,20H,2,4-5,17H2,(H,19,23)(H,21,22)(H,24,25)

InChI Key

GJOHGZXBEHBULM-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Peptides

Alternative Parents

Substituents

Alpha peptide
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Serotonin
Gamma amino acid or derivatives
Alpha-amino acid or derivatives
Hydroxyindole
3-alkylindole
Indole
Indole or derivatives
Amino fatty acid
1-hydroxy-2-unsubstituted benzenoid
Hydroxy fatty acid
Phenol
Fatty acyl
Substituted pyrrole
Benzenoid
Dicarboxylic acid or derivatives
Pyrrole
Heteroaromatic compound
Amino acid or derivatives
Amino acid
Organoheterocyclic compound
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Azacycle
Carboximidic acid
Carboximidic acid derivative
Carboxylic acid
Amine
Primary amine
Carbonyl group
Organic nitrogen compound
Organic oxygen compound
Organic oxide
Primary aliphatic amine
Organooxygen compound
Hydrocarbon derivative
Organonitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

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
logP	-1.7	ALOGPS
logP	-2.6	ChemAxon
logS	-2.6	ALOGPS
pKa (Strongest Acidic)	3.3	ChemAxon
pKa (Strongest Basic)	8.42	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	165.74 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	86.27 m³·mol⁻¹	ChemAxon
Polarizability	34.59 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	180.521	30932474
DeepCCS	[M-H]-	178.163	30932474
DeepCCS	[M-2H]-	212.048	30932474
DeepCCS	[M+Na]+	187.274	30932474
AllCCS	[M+H]+	177.7	32859911
AllCCS	[M+H-H2O]+	175.1	32859911
AllCCS	[M+NH4]+	180.1	32859911
AllCCS	[M+Na]+	180.8	32859911
AllCCS	[M-H]-	177.9	32859911
AllCCS	[M+Na-2H]-	177.9	32859911
AllCCS	[M+HCOO]-	178.0	32859911

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Predicted by Siyang on May 30, 2022	9.6802 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	8.73 minutes	32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	763.4 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	206.2 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	76.9 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	156.4 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	93.5 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	282.3 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	262.3 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	901.5 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	563.3 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	163.2 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	884.0 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	190.5 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	205.4 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	610.3 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	496.9 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	446.9 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
gamma-Glutamyl-5-hydroxytryptophan	NC(CCC(O)=O)C(=O)NC(CC1=CNC2=C1C=C(O)C=C2)C(O)=O	4690.3	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan	NC(CCC(O)=O)C(=O)NC(CC1=CNC2=C1C=C(O)C=C2)C(O)=O	2567.1	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan	NC(CCC(O)=O)C(=O)NC(CC1=CNC2=C1C=C(O)C=C2)C(O)=O	3787.1	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #1	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O[Si](C)(C)C	3317.2	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #1	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O[Si](C)(C)C	3207.5	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #1	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O[Si](C)(C)C	4049.8	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #10	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=C(O)C=C12)C(=O)O[Si](C)(C)C	3312.9	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #10	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=C(O)C=C12)C(=O)O[Si](C)(C)C	3200.6	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #10	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=C(O)C=C12)C(=O)O[Si](C)(C)C	4097.1	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #11	C[Si](C)(C)OC(=O)CCC(N)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=C(O)C=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3245.9	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #11	C[Si](C)(C)OC(=O)CCC(N)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=C(O)C=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3207.0	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #11	C[Si](C)(C)OC(=O)CCC(N)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=C(O)C=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4474.7	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #12	C[Si](C)(C)OC(=O)CCC(C(=O)N(C(CC1=C[NH]C2=CC=C(O)C=C12)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3429.9	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #12	C[Si](C)(C)OC(=O)CCC(C(=O)N(C(CC1=C[NH]C2=CC=C(O)C=C12)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3421.2	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #12	C[Si](C)(C)OC(=O)CCC(C(=O)N(C(CC1=C[NH]C2=CC=C(O)C=C12)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4186.6	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #13	C[Si](C)(C)OC(=O)CCC(C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=C(O)C=C12)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3498.0	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #13	C[Si](C)(C)OC(=O)CCC(C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=C(O)C=C12)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3376.5	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #13	C[Si](C)(C)OC(=O)CCC(C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=C(O)C=C12)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4264.8	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #14	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=C(O)C=C12)C(=O)O)[Si](C)(C)C	3321.5	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #14	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=C(O)C=C12)C(=O)O)[Si](C)(C)C	3310.5	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #14	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=C(O)C=C12)C(=O)O)[Si](C)(C)C	4146.7	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #15	C[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=C(O[Si](C)(C)C)C=C12)NC(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3460.4	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #15	C[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=C(O[Si](C)(C)C)C=C12)NC(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3317.7	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #15	C[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=C(O[Si](C)(C)C)C=C12)NC(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4137.1	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #16	C[Si](C)(C)NC(CCC(=O)O)C(=O)N(C(CC1=C[NH]C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3322.0	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #16	C[Si](C)(C)NC(CCC(=O)O)C(=O)N(C(CC1=C[NH]C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3282.6	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #16	C[Si](C)(C)NC(CCC(=O)O)C(=O)N(C(CC1=C[NH]C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4065.2	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #17	C[Si](C)(C)NC(CCC(=O)O)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O[Si](C)(C)C	3381.4	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #17	C[Si](C)(C)NC(CCC(=O)O)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O[Si](C)(C)C	3198.2	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #17	C[Si](C)(C)NC(CCC(=O)O)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O[Si](C)(C)C	4117.7	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #18	C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)N(C(=O)C(N)CCC(=O)O)[Si](C)(C)C	3312.5	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #18	C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)N(C(=O)C(N)CCC(=O)O)[Si](C)(C)C	3197.8	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #18	C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)N(C(=O)C(N)CCC(=O)O)[Si](C)(C)C	4406.2	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #19	C[Si](C)(C)OC1=CC=C2C(=C1)C(CC(NC(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)=CN2[Si](C)(C)C	3548.7	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #19	C[Si](C)(C)OC1=CC=C2C(=C1)C(CC(NC(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)=CN2[Si](C)(C)C	3356.0	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #19	C[Si](C)(C)OC1=CC=C2C(=C1)C(CC(NC(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)=CN2[Si](C)(C)C	4274.8	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #2	C[Si](C)(C)OC(=O)CCC(N)C(=O)N(C(CC1=C[NH]C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3275.7	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #2	C[Si](C)(C)OC(=O)CCC(N)C(=O)N(C(CC1=C[NH]C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3216.2	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #2	C[Si](C)(C)OC(=O)CCC(N)C(=O)N(C(CC1=C[NH]C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4438.1	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #20	C[Si](C)(C)OC1=CC=C2[NH]C=C(CC(C(=O)O)N(C(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C2=C1	3503.9	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #20	C[Si](C)(C)OC1=CC=C2[NH]C=C(CC(C(=O)O)N(C(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C2=C1	3404.3	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #20	C[Si](C)(C)OC1=CC=C2[NH]C=C(CC(C(=O)O)N(C(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C2=C1	4214.4	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #21	C[Si](C)(C)NC(CCC(=O)O)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O)[Si](C)(C)C	3392.8	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #21	C[Si](C)(C)NC(CCC(=O)O)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O)[Si](C)(C)C	3300.4	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #21	C[Si](C)(C)NC(CCC(=O)O)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O)[Si](C)(C)C	4169.6	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #22	C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=C(O)C=C12)NC(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3494.0	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #22	C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=C(O)C=C12)NC(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3334.6	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #22	C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=C(O)C=C12)NC(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4189.1	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #23	C[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=C(O)C=C12)N(C(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3456.4	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #23	C[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=C(O)C=C12)N(C(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3389.1	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #23	C[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=C(O)C=C12)N(C(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4146.6	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #24	C[Si](C)(C)NC(CCC(=O)O)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=C(O)C=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3328.4	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #24	C[Si](C)(C)NC(CCC(=O)O)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=C(O)C=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3285.5	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #24	C[Si](C)(C)NC(CCC(=O)O)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=C(O)C=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4113.3	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #25	C[Si](C)(C)N(C(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC1=CN([Si](C)(C)C)C2=CC=C(O)C=C12)C(=O)O	3546.7	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #25	C[Si](C)(C)N(C(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC1=CN([Si](C)(C)C)C2=CC=C(O)C=C12)C(=O)O	3426.5	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #25	C[Si](C)(C)N(C(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC1=CN([Si](C)(C)C)C2=CC=C(O)C=C12)C(=O)O	4264.8	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #3	C[Si](C)(C)OC(=O)CCC(N)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O[Si](C)(C)C	3318.4	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #3	C[Si](C)(C)OC(=O)CCC(N)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O[Si](C)(C)C	3138.5	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #3	C[Si](C)(C)OC(=O)CCC(N)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O[Si](C)(C)C	4599.7	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #4	C[Si](C)(C)OC(=O)CCC(C(=O)NC(CC1=C[NH]C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3468.7	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #4	C[Si](C)(C)OC(=O)CCC(C(=O)NC(CC1=C[NH]C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3372.1	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #4	C[Si](C)(C)OC(=O)CCC(C(=O)NC(CC1=C[NH]C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4206.5	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #5	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O)[Si](C)(C)C	3317.5	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #5	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O)[Si](C)(C)C	3309.7	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #5	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O)[Si](C)(C)C	4098.0	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #6	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O	3388.6	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #6	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O	3237.9	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #6	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O	4177.0	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #7	C[Si](C)(C)OC(=O)CCC(N)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O)[Si](C)(C)C	3305.3	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #7	C[Si](C)(C)OC(=O)CCC(N)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O)[Si](C)(C)C	3216.3	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #7	C[Si](C)(C)OC(=O)CCC(N)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O)[Si](C)(C)C	4446.7	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #8	C[Si](C)(C)OC(=O)CCC(C(=O)NC(CC1=C[NH]C2=CC=C(O)C=C12)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3399.0	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #8	C[Si](C)(C)OC(=O)CCC(C(=O)NC(CC1=C[NH]C2=CC=C(O)C=C12)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3330.5	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #8	C[Si](C)(C)OC(=O)CCC(C(=O)NC(CC1=C[NH]C2=CC=C(O)C=C12)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4108.4	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #9	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=C(O)C=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3246.2	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #9	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=C(O)C=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3285.1	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TMS,isomer #9	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=C(O)C=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4025.7	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #1	C[Si](C)(C)OC(=O)CCC(C(=O)NC(CC1=C[NH]C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3433.4	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #1	C[Si](C)(C)OC(=O)CCC(C(=O)NC(CC1=C[NH]C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3332.2	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #1	C[Si](C)(C)OC(=O)CCC(C(=O)NC(CC1=C[NH]C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3836.4	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #10	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=C(O)C=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3285.4	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #10	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=C(O)C=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3282.2	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #10	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=C(O)C=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3833.0	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #11	C[Si](C)(C)OC(=O)CCC(C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=C(O)C=C12)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3496.8	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #11	C[Si](C)(C)OC(=O)CCC(C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=C(O)C=C12)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3420.1	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #11	C[Si](C)(C)OC(=O)CCC(C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=C(O)C=C12)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3991.9	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #12	C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)NC(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3491.8	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #12	C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)NC(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3317.0	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #12	C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)NC(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3940.1	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #13	C[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=C(O[Si](C)(C)C)C=C12)N(C(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3496.1	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #13	C[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=C(O[Si](C)(C)C)C=C12)N(C(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3399.7	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #13	C[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=C(O[Si](C)(C)C)C=C12)N(C(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3886.7	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #14	C[Si](C)(C)NC(CCC(=O)O)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3367.6	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #14	C[Si](C)(C)NC(CCC(=O)O)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3276.6	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #14	C[Si](C)(C)NC(CCC(=O)O)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3879.2	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #15	C[Si](C)(C)OC1=CC=C2C(=C1)C(CC(C(=O)O)N(C(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=CN2[Si](C)(C)C	3567.0	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #15	C[Si](C)(C)OC1=CC=C2C(=C1)C(CC(C(=O)O)N(C(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=CN2[Si](C)(C)C	3406.9	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #15	C[Si](C)(C)OC1=CC=C2C(=C1)C(CC(C(=O)O)N(C(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=CN2[Si](C)(C)C	4026.7	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #16	C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=C(O)C=C12)N(C(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3512.6	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #16	C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=C(O)C=C12)N(C(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3400.6	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #16	C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=C(O)C=C12)N(C(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3956.7	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #2	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3316.1	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #2	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3300.1	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #2	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3761.4	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #3	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O[Si](C)(C)C	3326.3	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #3	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O[Si](C)(C)C	3197.1	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #3	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O[Si](C)(C)C	3845.7	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #4	C[Si](C)(C)OC(=O)CCC(N)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3265.0	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #4	C[Si](C)(C)OC(=O)CCC(N)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3204.5	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #4	C[Si](C)(C)OC(=O)CCC(N)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4230.8	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #5	C[Si](C)(C)OC(=O)CCC(C(=O)N(C(CC1=C[NH]C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3474.0	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #5	C[Si](C)(C)OC(=O)CCC(C(=O)N(C(CC1=C[NH]C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3423.9	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #5	C[Si](C)(C)OC(=O)CCC(C(=O)N(C(CC1=C[NH]C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3920.6	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #6	C[Si](C)(C)OC(=O)CCC(C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3503.4	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #6	C[Si](C)(C)OC(=O)CCC(C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3351.5	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #6	C[Si](C)(C)OC(=O)CCC(C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4000.9	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #7	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O)[Si](C)(C)C	3356.4	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #7	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O)[Si](C)(C)C	3295.9	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #7	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O)[Si](C)(C)C	3908.9	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #8	C[Si](C)(C)OC(=O)CCC(C(=O)N(C(CC1=C[NH]C2=CC=C(O)C=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3399.7	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #8	C[Si](C)(C)OC(=O)CCC(C(=O)N(C(CC1=C[NH]C2=CC=C(O)C=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3400.7	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #8	C[Si](C)(C)OC(=O)CCC(C(=O)N(C(CC1=C[NH]C2=CC=C(O)C=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3833.0	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #9	C[Si](C)(C)OC(=O)CCC(C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=C(O)C=C12)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3453.0	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #9	C[Si](C)(C)OC(=O)CCC(C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=C(O)C=C12)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3324.8	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,5TMS,isomer #9	C[Si](C)(C)OC(=O)CCC(C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=C(O)C=C12)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3903.3	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,6TMS,isomer #1	C[Si](C)(C)OC(=O)CCC(C(=O)N(C(CC1=C[NH]C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3478.7	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,6TMS,isomer #1	C[Si](C)(C)OC(=O)CCC(C(=O)N(C(CC1=C[NH]C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3407.2	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,6TMS,isomer #1	C[Si](C)(C)OC(=O)CCC(C(=O)N(C(CC1=C[NH]C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3627.0	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,6TMS,isomer #2	C[Si](C)(C)OC(=O)CCC(C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3445.8	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,6TMS,isomer #2	C[Si](C)(C)OC(=O)CCC(C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3314.3	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,6TMS,isomer #2	C[Si](C)(C)OC(=O)CCC(C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3699.7	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,6TMS,isomer #3	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3322.3	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,6TMS,isomer #3	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3276.3	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,6TMS,isomer #3	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3640.1	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,6TMS,isomer #4	C[Si](C)(C)OC(=O)CCC(C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3542.5	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,6TMS,isomer #4	C[Si](C)(C)OC(=O)CCC(C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3403.8	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,6TMS,isomer #4	C[Si](C)(C)OC(=O)CCC(C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3783.0	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,6TMS,isomer #5	C[Si](C)(C)OC(=O)CCC(C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=C(O)C=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3480.4	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,6TMS,isomer #5	C[Si](C)(C)OC(=O)CCC(C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=C(O)C=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3399.6	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,6TMS,isomer #5	C[Si](C)(C)OC(=O)CCC(C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=C(O)C=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3700.6	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,6TMS,isomer #6	C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)N(C(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3549.8	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,6TMS,isomer #6	C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)N(C(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3387.9	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,6TMS,isomer #6	C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)N(C(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3750.7	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,7TMS,isomer #1	C[Si](C)(C)OC(=O)CCC(C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3521.3	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,7TMS,isomer #1	C[Si](C)(C)OC(=O)CCC(C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3391.6	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,7TMS,isomer #1	C[Si](C)(C)OC(=O)CCC(C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3571.0	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C12)C(=O)O[Si](C)(C)C(C)(C)C	4281.5	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C12)C(=O)O[Si](C)(C)C(C)(C)C	3921.0	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=C[NH]C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C12)C(=O)O[Si](C)(C)C(C)(C)C	4197.3	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O)C=C12)C(=O)O[Si](C)(C)C(C)(C)C	4165.3	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O)C=C12)C(=O)O[Si](C)(C)C(C)(C)C	3878.1	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O)C=C12)C(=O)O[Si](C)(C)C(C)(C)C	4213.5	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)CCC(N)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O)C=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4155.6	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)CCC(N)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O)C=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3884.1	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)CCC(N)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O)C=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4507.8	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)N(C(CC1=C[NH]C2=CC=C(O)C=C12)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4383.1	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)N(C(CC1=C[NH]C2=CC=C(O)C=C12)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4077.2	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)N(C(CC1=C[NH]C2=CC=C(O)C=C12)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4275.9	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O)C=C12)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4411.8	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O)C=C12)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4000.9	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O)C=C12)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4318.5	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O)C=C12)C(=O)O)[Si](C)(C)C(C)(C)C	4227.7	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O)C=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3950.7	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O)C=C12)C(=O)O)[Si](C)(C)C(C)(C)C	4273.4	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C12)NC(=O)C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4474.4	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C12)NC(=O)C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3992.1	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C12)NC(=O)C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4238.5	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(CCC(=O)O)C(=O)N(C(CC1=C[NH]C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4307.8	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(CCC(=O)O)C(=O)N(C(CC1=C[NH]C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3982.1	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(CCC(=O)O)C(=O)N(C(CC1=C[NH]C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4226.2	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(CCC(=O)O)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C12)C(=O)O[Si](C)(C)C(C)(C)C	4306.5	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(CCC(=O)O)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C12)C(=O)O[Si](C)(C)C(C)(C)C	3849.0	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(CCC(=O)O)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C12)C(=O)O[Si](C)(C)C(C)(C)C	4248.5	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C12)N(C(=O)C(N)CCC(=O)O)[Si](C)(C)C(C)(C)C	4279.8	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C12)N(C(=O)C(N)CCC(=O)O)[Si](C)(C)C(C)(C)C	3850.9	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C12)N(C(=O)C(N)CCC(=O)O)[Si](C)(C)C(C)(C)C	4482.6	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1)C(CC(NC(=O)C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)=CN2[Si](C)(C)C(C)(C)C	4516.7	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1)C(CC(NC(=O)C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)=CN2[Si](C)(C)C(C)(C)C	3963.0	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1)C(CC(NC(=O)C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)=CN2[Si](C)(C)C(C)(C)C	4344.2	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CCC(N)C(=O)N(C(CC1=C[NH]C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4257.2	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CCC(N)C(=O)N(C(CC1=C[NH]C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3912.2	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CCC(N)C(=O)N(C(CC1=C[NH]C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4487.7	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC=C2[NH]C=C(CC(C(=O)O)N(C(=O)C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C2=C1	4470.6	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC=C2[NH]C=C(CC(C(=O)O)N(C(=O)C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C2=C1	4053.3	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC=C2[NH]C=C(CC(C(=O)O)N(C(=O)C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C2=C1	4314.4	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC(CCC(=O)O)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C12)C(=O)O)[Si](C)(C)C(C)(C)C	4348.2	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC(CCC(=O)O)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3919.2	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC(CCC(=O)O)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C12)C(=O)O)[Si](C)(C)C(C)(C)C	4308.3	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O)C=C12)NC(=O)C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4411.4	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O)C=C12)NC(=O)C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3967.6	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O)C=C12)NC(=O)C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4271.4	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=C(O)C=C12)N(C(=O)C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4382.5	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=C(O)C=C12)N(C(=O)C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4065.5	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=C(O)C=C12)N(C(=O)C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4258.7	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NC(CCC(=O)O)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O)C=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4226.4	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NC(CCC(=O)O)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O)C=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3952.3	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NC(CCC(=O)O)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O)C=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4256.6	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N(C(=O)C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O)C=C12)C(=O)O	4444.6	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N(C(=O)C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O)C=C12)C(=O)O	4026.7	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N(C(=O)C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O)C=C12)C(=O)O	4354.9	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CCC(N)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C12)C(=O)O[Si](C)(C)C(C)(C)C	4273.4	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CCC(N)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C12)C(=O)O[Si](C)(C)C(C)(C)C	3810.5	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CCC(N)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C12)C(=O)O[Si](C)(C)C(C)(C)C	4569.5	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)NC(CC1=C[NH]C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C12)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4468.7	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)NC(CC1=C[NH]C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C12)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4034.7	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)NC(CC1=C[NH]C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C12)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4279.6	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C12)C(=O)O)[Si](C)(C)C(C)(C)C	4302.9	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3992.9	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C12)C(=O)O)[Si](C)(C)C(C)(C)C	4241.1	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C12)C(=O)O	4293.3	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C12)C(=O)O	3878.9	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C12)C(=O)O	4281.7	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)CCC(N)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C12)C(=O)O)[Si](C)(C)C(C)(C)C	4289.0	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)CCC(N)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3848.6	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)CCC(N)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C12)C(=O)O)[Si](C)(C)C(C)(C)C	4509.9	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)NC(CC1=C[NH]C2=CC=C(O)C=C12)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4361.8	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)NC(CC1=C[NH]C2=CC=C(O)C=C12)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4015.5	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)NC(CC1=C[NH]C2=CC=C(O)C=C12)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4198.9	Standard polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=C(O)C=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4182.6	Semi standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=C(O)C=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3996.2	Standard non polar	33892256
gamma-Glutamyl-5-hydroxytryptophan,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(C(CC1=C[NH]C2=CC=C(O)C=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4180.0	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - gamma-Glutamyl-5-hydroxytryptophan GC-MS (Non-derivatized) - 70eV, Positive	splash10-0zfu-9443000000-fb8a02292ca686634ba4	2021-09-23	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - gamma-Glutamyl-5-hydroxytryptophan GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - gamma-Glutamyl-5-hydroxytryptophan GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - gamma-Glutamyl-5-hydroxytryptophan GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - gamma-Glutamyl-5-hydroxytryptophan GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - gamma-Glutamyl-5-hydroxytryptophan GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - gamma-Glutamyl-5-hydroxytryptophan GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - gamma-Glutamyl-5-hydroxytryptophan GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - gamma-Glutamyl-5-hydroxytryptophan GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - gamma-Glutamyl-5-hydroxytryptophan GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - gamma-Glutamyl-5-hydroxytryptophan GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - gamma-Glutamyl-5-hydroxytryptophan GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - gamma-Glutamyl-5-hydroxytryptophan GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - gamma-Glutamyl-5-hydroxytryptophan GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - gamma-Glutamyl-5-hydroxytryptophan GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - gamma-Glutamyl-5-hydroxytryptophan GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - gamma-Glutamyl-5-hydroxytryptophan GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - gamma-Glutamyl-5-hydroxytryptophan GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - gamma-Glutamyl-5-hydroxytryptophan GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - gamma-Glutamyl-5-hydroxytryptophan GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - gamma-Glutamyl-5-hydroxytryptophan GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - gamma-Glutamyl-5-hydroxytryptophan GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - gamma-Glutamyl-5-hydroxytryptophan GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - gamma-Glutamyl-5-hydroxytryptophan GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - gamma-Glutamyl-5-hydroxytryptophan GC-MS (TMS_3_1) - 70eV, Positive	Not Available	2021-11-04	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 - gamma-Glutamyl-5-hydroxytryptophan 10V, Positive-QTOF	splash10-0udi-0159000000-9ade9ffc18034c3c1de7	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - gamma-Glutamyl-5-hydroxytryptophan 20V, Positive-QTOF	splash10-0kai-9542000000-2a30dd7b592bd237b849	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - gamma-Glutamyl-5-hydroxytryptophan 40V, Positive-QTOF	splash10-0a4i-9300000000-756b9761787e96ed6532	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - gamma-Glutamyl-5-hydroxytryptophan 10V, Negative-QTOF	splash10-0002-0229000000-bae1c7e009ef43dd12ae	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - gamma-Glutamyl-5-hydroxytryptophan 20V, Negative-QTOF	splash10-0040-4953000000-be4b2646734624d18f21	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - gamma-Glutamyl-5-hydroxytryptophan 40V, Negative-QTOF	splash10-001i-4930000000-45c1666f893d90f0c113	2021-10-12	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

Abnormal Concentrations

Not Available

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

Not Available

KNApSAcK ID

Not Available

Chemspider ID

64884703

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

78299124

PDB ID

Not Available

ChEBI ID

Not Available

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

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Showing metabocard for gamma-Glutamyl-5-hydroxytryptophan (HMDB0252616)

MOL for HMDB0252616 (gamma-Glutamyl-5-hydroxytryptophan)

3D MOL for HMDB0252616 (gamma-Glutamyl-5-hydroxytryptophan)

3D SDF for HMDB0252616 (gamma-Glutamyl-5-hydroxytryptophan)

3D-SDF for HMDB0252616 (gamma-Glutamyl-5-hydroxytryptophan)

PDB for HMDB0252616 (gamma-Glutamyl-5-hydroxytryptophan)

3D PDB for HMDB0252616 (gamma-Glutamyl-5-hydroxytryptophan)

SMILES for HMDB0252616 (gamma-Glutamyl-5-hydroxytryptophan)

INCHI for HMDB0252616 (gamma-Glutamyl-5-hydroxytryptophan)

Structure for HMDB0252616 (gamma-Glutamyl-5-hydroxytryptophan)

3D Structure for HMDB0252616 (gamma-Glutamyl-5-hydroxytryptophan)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra