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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-06 21:03:37 UTC

Update Date

2021-09-14 15:37:04 UTC

HMDB ID

HMDB0029081

Secondary Accession Numbers

HMDB29081

Metabolite Identification

Common Name

Tryptophyl-Glutamine

Description

Tryptophyl-Glutamine is a dipeptide composed of tryptophan and glutamine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an 'Expected' metabolite.

Structure

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

HMDB0029081
     RDKit          3D
Tryptophyl-Glutamine
 44 45  0  0  0  0  0  0  0  0999 V2000
    4.6689    2.6006   -1.5186 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5290    1.8338   -0.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1307    2.1435    0.7155 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6530    0.6502   -0.3454 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6451    0.0336    1.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7529   -1.1842    1.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4123   -0.7831    0.6491 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3812   -0.9640    1.5996 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5749   -1.4531    2.7378 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0044   -0.5639    1.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9348   -0.8490    2.3242 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3785   -1.2834   -0.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7652   -0.9111   -0.3955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9276   -1.6311   -0.2649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9406   -0.8953   -0.7427 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4967    0.2928   -1.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0961    1.3990   -1.7634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3033    2.4695   -2.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9441    2.4728   -1.8933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3433    1.3882   -1.3281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1343    0.2905   -0.9749 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2084   -2.1910    0.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4835   -2.5633   -0.9337 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4730   -2.7767    0.1023 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5953    2.9973   -1.8420 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8567    2.8219   -2.1521 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6228    1.0030   -0.5916 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426   -0.0836   -1.1358 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6756   -0.2199    1.3641 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2486    0.7751    1.7465 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7820   -1.5951    2.0515 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1728   -0.3735   -0.2718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0674    0.5478    1.0662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8313   -1.8235    2.6695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8136   -0.1941    3.1247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2349   -2.3646    0.0383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7206   -0.8898   -0.8467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9747   -2.6426    0.1669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9433   -1.2012   -0.7669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1805    1.3822   -1.9259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7534    3.3434   -2.5545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3184    3.3148   -2.1612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2717    1.3940   -1.1640 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5695   -3.7167    0.5013 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 10 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
 20 21  2  0
  6 22  1  0
 22 23  2  0
 22 24  1  0
 21 13  1  0
 21 16  1  0
  1 25  1  0
  1 26  1  0
  4 27  1  0
  4 28  1  0
  5 29  1  0
  5 30  1  0
  6 31  1  0
  7 32  1  0
 10 33  1  0
 11 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
 19 42  1  0
 20 43  1  0
 24 44  1  0
M  END


  Mrv1652304062014182D          

 24 25  0  0  0  0            999 V2000
   -0.2461    0.4041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9605    0.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9605    1.6416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    0.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750   -0.4209    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3895    0.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1039    0.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8576    0.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4097    0.1266    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9972   -0.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1902   -0.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6382   -1.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8931   -1.8141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7001   -1.9856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2521   -1.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4684    0.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1829    0.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8973    0.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6118    0.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3263    0.8166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6118   -0.4209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4684    1.6416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1829    2.0541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2461    2.0541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
  1 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 16 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0029081

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C16H20N4O4/c17-11(7-9-8-19-12-4-2-1-3-10(9)12)15(22)20-13(16(23)24)5-6-14(18)21/h1-4,8,11,13,19H,5-7,17H2,(H2,18,21)(H,20,22)(H,23,24)

> <INCHI_KEY>
NZCPCJCJZHKFGZ-UHFFFAOYSA-N

> <FORMULA>
C16H20N4O4

> <MOLECULAR_WEIGHT>
332.3544

> <EXACT_MASS>
332.148455148

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
33.563155493596

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoic acid

> <ALOGPS_LOGP>
-1.48

> <JCHEM_LOGP>
-2.78512793543053

> <ALOGPS_LOGS>
-2.77

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.662869976093244

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.630238305738789

> <JCHEM_PKA_STRONGEST_BASIC>
7.959206005457923

> <JCHEM_POLAR_SURFACE_AREA>
151.29999999999998

> <JCHEM_REFRACTIVITY>
86.11279999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.64e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-[2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0029081
     RDKit          3D
Tryptophyl-Glutamine
 44 45  0  0  0  0  0  0  0  0999 V2000
    4.6689    2.6006   -1.5186 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5290    1.8338   -0.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1307    2.1435    0.7155 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6530    0.6502   -0.3454 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6451    0.0336    1.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7529   -1.1842    1.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4123   -0.7831    0.6491 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3812   -0.9640    1.5996 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5749   -1.4531    2.7378 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0044   -0.5639    1.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9348   -0.8490    2.3242 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3785   -1.2834   -0.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7652   -0.9111   -0.3955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9276   -1.6311   -0.2649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9406   -0.8953   -0.7427 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4967    0.2928   -1.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0961    1.3990   -1.7634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3033    2.4695   -2.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9441    2.4728   -1.8933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3433    1.3882   -1.3281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1343    0.2905   -0.9749 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2084   -2.1910    0.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4835   -2.5633   -0.9337 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4730   -2.7767    0.1023 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5953    2.9973   -1.8420 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8567    2.8219   -2.1521 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6228    1.0030   -0.5916 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426   -0.0836   -1.1358 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6756   -0.2199    1.3641 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2486    0.7751    1.7465 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7820   -1.5951    2.0515 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1728   -0.3735   -0.2718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0674    0.5478    1.0662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8313   -1.8235    2.6695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8136   -0.1941    3.1247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2349   -2.3646    0.0383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7206   -0.8898   -0.8467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9747   -2.6426    0.1669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9433   -1.2012   -0.7669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1805    1.3822   -1.9259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7534    3.3434   -2.5545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3184    3.3148   -2.1612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2717    1.3940   -1.1640 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5695   -3.7167    0.5013 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 10 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
 20 21  2  0
  6 22  1  0
 22 23  2  0
 22 24  1  0
 21 13  1  0
 21 16  1  0
  1 25  1  0
  1 26  1  0
  4 27  1  0
  4 28  1  0
  5 29  1  0
  5 30  1  0
  6 31  1  0
  7 32  1  0
 10 33  1  0
 11 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
 19 42  1  0
 20 43  1  0
 24 44  1  0
M  END

HEADER    PROTEIN                                 06-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-APR-20         0                                  
HETATM    1  N   UNK     0      -0.459   0.754   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0      -1.793   1.524   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -1.793   3.064   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      -3.127   0.754   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0      -3.127  -0.786   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0      -4.460   1.524   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -5.794   0.754   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -7.201   1.381   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0      -8.231   0.236   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0      -7.461  -1.097   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -5.955  -0.777   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -4.925  -1.922   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -5.400  -3.386   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -6.907  -3.706   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -7.937  -2.562   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.874   1.524   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.208   0.754   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.542   1.524   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.875   0.754   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0       6.209   1.524   0.000  0.00  0.00           N+0
HETATM   21  O   UNK     0       4.875  -0.786   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       0.874   3.064   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       2.208   3.834   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -0.459   3.834   0.000  0.00  0.00           O+0
CONECT    1    2   16                                                       
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8   11                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   15                                                  
CONECT   11   10    7   12                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   10                                                       
CONECT   16    1   17   22                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22   16   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   50    0
END

COMPND    HMDB0029081
HETATM    1  N1  UNL     1       4.669   2.601  -1.519  1.00  0.00           N  
HETATM    2  C1  UNL     1       4.529   1.834  -0.331  1.00  0.00           C  
HETATM    3  O1  UNL     1       5.131   2.143   0.716  1.00  0.00           O  
HETATM    4  C2  UNL     1       3.653   0.650  -0.345  1.00  0.00           C  
HETATM    5  C3  UNL     1       3.645   0.034   1.027  1.00  0.00           C  
HETATM    6  C4  UNL     1       2.753  -1.184   1.016  1.00  0.00           C  
HETATM    7  N2  UNL     1       1.412  -0.783   0.649  1.00  0.00           N  
HETATM    8  C5  UNL     1       0.381  -0.964   1.600  1.00  0.00           C  
HETATM    9  O2  UNL     1       0.575  -1.453   2.738  1.00  0.00           O  
HETATM   10  C6  UNL     1      -1.004  -0.564   1.256  1.00  0.00           C  
HETATM   11  N3  UNL     1      -1.935  -0.849   2.324  1.00  0.00           N  
HETATM   12  C7  UNL     1      -1.378  -1.283  -0.016  1.00  0.00           C  
HETATM   13  C8  UNL     1      -2.765  -0.911  -0.395  1.00  0.00           C  
HETATM   14  C9  UNL     1      -3.928  -1.631  -0.265  1.00  0.00           C  
HETATM   15  N4  UNL     1      -4.941  -0.895  -0.743  1.00  0.00           N  
HETATM   16  C10 UNL     1      -4.497   0.293  -1.189  1.00  0.00           C  
HETATM   17  C11 UNL     1      -5.096   1.399  -1.763  1.00  0.00           C  
HETATM   18  C12 UNL     1      -4.303   2.470  -2.104  1.00  0.00           C  
HETATM   19  C13 UNL     1      -2.944   2.473  -1.893  1.00  0.00           C  
HETATM   20  C14 UNL     1      -2.343   1.388  -1.328  1.00  0.00           C  
HETATM   21  C15 UNL     1      -3.134   0.290  -0.975  1.00  0.00           C  
HETATM   22  C16 UNL     1       3.208  -2.191   0.022  1.00  0.00           C  
HETATM   23  O3  UNL     1       2.483  -2.563  -0.934  1.00  0.00           O  
HETATM   24  O4  UNL     1       4.473  -2.777   0.102  1.00  0.00           O  
HETATM   25  H1  UNL     1       5.595   2.997  -1.842  1.00  0.00           H  
HETATM   26  H2  UNL     1       3.857   2.822  -2.152  1.00  0.00           H  
HETATM   27  H3  UNL     1       2.623   1.003  -0.592  1.00  0.00           H  
HETATM   28  H4  UNL     1       3.943  -0.084  -1.136  1.00  0.00           H  
HETATM   29  H5  UNL     1       4.676  -0.220   1.364  1.00  0.00           H  
HETATM   30  H6  UNL     1       3.249   0.775   1.747  1.00  0.00           H  
HETATM   31  H7  UNL     1       2.782  -1.595   2.052  1.00  0.00           H  
HETATM   32  H8  UNL     1       1.173  -0.374  -0.272  1.00  0.00           H  
HETATM   33  H9  UNL     1      -1.067   0.548   1.066  1.00  0.00           H  
HETATM   34  H10 UNL     1      -1.831  -1.823   2.670  1.00  0.00           H  
HETATM   35  H11 UNL     1      -1.814  -0.194   3.125  1.00  0.00           H  
HETATM   36  H12 UNL     1      -1.235  -2.365   0.038  1.00  0.00           H  
HETATM   37  H13 UNL     1      -0.721  -0.890  -0.847  1.00  0.00           H  
HETATM   38  H14 UNL     1      -3.975  -2.643   0.167  1.00  0.00           H  
HETATM   39  H15 UNL     1      -5.943  -1.201  -0.767  1.00  0.00           H  
HETATM   40  H16 UNL     1      -6.181   1.382  -1.926  1.00  0.00           H  
HETATM   41  H17 UNL     1      -4.753   3.343  -2.555  1.00  0.00           H  
HETATM   42  H18 UNL     1      -2.318   3.315  -2.161  1.00  0.00           H  
HETATM   43  H19 UNL     1      -1.272   1.394  -1.164  1.00  0.00           H  
HETATM   44  H20 UNL     1       4.570  -3.717   0.501  1.00  0.00           H  
CONECT    1    2   25   26
CONECT    2    3    3    4
CONECT    4    5   27   28
CONECT    5    6   29   30
CONECT    6    7   22   31
CONECT    7    8   32
CONECT    8    9    9   10
CONECT   10   11   12   33
CONECT   11   34   35
CONECT   12   13   36   37
CONECT   13   14   14   21
CONECT   14   15   38
CONECT   15   16   39
CONECT   16   17   17   21
CONECT   17   18   40
CONECT   18   19   19   41
CONECT   19   20   42
CONECT   20   21   21   43
CONECT   22   23   23   24
CONECT   24   44
END

HMDB0029081
     RDKit          3D
Tryptophyl-Glutamine
 44 45  0  0  0  0  0  0  0  0999 V2000
    4.6689    2.6006   -1.5186 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5290    1.8338   -0.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1307    2.1435    0.7155 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6530    0.6502   -0.3454 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6451    0.0336    1.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7529   -1.1842    1.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4123   -0.7831    0.6491 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3812   -0.9640    1.5996 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5749   -1.4531    2.7378 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0044   -0.5639    1.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9348   -0.8490    2.3242 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3785   -1.2834   -0.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7652   -0.9111   -0.3955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9276   -1.6311   -0.2649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9406   -0.8953   -0.7427 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4967    0.2928   -1.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0961    1.3990   -1.7634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3033    2.4695   -2.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9441    2.4728   -1.8933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3433    1.3882   -1.3281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1343    0.2905   -0.9749 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2084   -2.1910    0.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4835   -2.5633   -0.9337 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4730   -2.7767    0.1023 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5953    2.9973   -1.8420 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8567    2.8219   -2.1521 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6228    1.0030   -0.5916 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426   -0.0836   -1.1358 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6756   -0.2199    1.3641 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2486    0.7751    1.7465 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7820   -1.5951    2.0515 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1728   -0.3735   -0.2718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0674    0.5478    1.0662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8313   -1.8235    2.6695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8136   -0.1941    3.1247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2349   -2.3646    0.0383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7206   -0.8898   -0.8467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9747   -2.6426    0.1669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9433   -1.2012   -0.7669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1805    1.3822   -1.9259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7534    3.3434   -2.5545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3184    3.3148   -2.1612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2717    1.3940   -1.1640 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5695   -3.7167    0.5013 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 10 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
 20 21  2  0
  6 22  1  0
 22 23  2  0
 22 24  1  0
 21 13  1  0
 21 16  1  0
  1 25  1  0
  1 26  1  0
  4 27  1  0
  4 28  1  0
  5 29  1  0
  5 30  1  0
  6 31  1  0
  7 32  1  0
 10 33  1  0
 11 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
 19 42  1  0
 20 43  1  0
 24 44  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
L-Tryptophyl-L-glutamine	HMDB
TRP-GLN	HMDB
Tryptophan glutamine dipeptide	HMDB
Tryptophan-glutamine dipeptide	HMDB
Tryptophylglutamine	HMDB
W-Q Dipeptide	HMDB
WQ Dipeptide	HMDB
2-{[2-amino-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino}-4-(C-hydroxycarbonimidoyl)butanoate	HMDB

Chemical Formula

C₁₆H₂₀N₄O₄

Average Molecular Weight

332.3544

Monoisotopic Molecular Weight

332.148455148

IUPAC Name

2-[2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoic acid

Traditional Name

2-[2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoic acid

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C16H20N4O4/c17-11(7-9-8-19-12-4-2-1-3-10(9)12)15(22)20-13(16(23)24)5-6-14(18)21/h1-4,8,11,13,19H,5-7,17H2,(H2,18,21)(H,20,22)(H,23,24)

InChI Key

NZCPCJCJZHKFGZ-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Dipeptides

Alternative Parents

Substituents

Alpha-dipeptide
Glutamine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Triptan
Alpha-amino acid or derivatives
3-alkylindole
Indole
Indole or derivatives
Aralkylamine
Fatty amide
Substituted pyrrole
Fatty acyl
Benzenoid
Heteroaromatic compound
Pyrrole
Secondary carboxylic acid amide
Primary carboxylic acid amide
Amino acid or derivatives
Carboxamide group
Amino acid
Organoheterocyclic compound
Azacycle
Carboxylic acid
Monocarboxylic acid or derivatives
Organic oxygen compound
Primary aliphatic amine
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic nitrogen compound
Organonitrogen compound
Carbonyl group
Organooxygen compound
Amine
Primary amine
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Endogenous (HMDB: HMDB0029081)

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	-2.78	Extrapolated

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.56 g/L	ALOGPS
logP	-1.5	ALOGPS
logP	-2.8	ChemAxon
logS	-2.8	ALOGPS
pKa (Strongest Acidic)	3.63	ChemAxon
pKa (Strongest Basic)	7.96	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	151.3 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	86.11 m³·mol⁻¹	ChemAxon
Polarizability	33.56 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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
DarkChem	[M+H]+	176.627	31661259
DarkChem	[M-H]-	170.747	31661259
DeepCCS	[M+H]+	172.969	30932474
DeepCCS	[M-H]-	170.611	30932474
DeepCCS	[M-2H]-	203.497	30932474
DeepCCS	[M+Na]+	179.062	30932474
AllCCS	[M+H]+	176.3	32859911
AllCCS	[M+H-H2O]+	173.4	32859911
AllCCS	[M+NH4]+	178.9	32859911
AllCCS	[M+Na]+	179.6	32859911
AllCCS	[M-H]-	177.8	32859911
AllCCS	[M+Na-2H]-	177.9	32859911
AllCCS	[M+HCOO]-	178.2	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.	2.8 minutes	32390414
Predicted by Siyang on May 30, 2022	9.944 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	8.67 minutes	32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid	302.8 seconds	40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	904.6 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	203.3 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	98.6 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	165.9 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	106.2 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	286.9 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	291.3 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	859.6 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	628.9 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	255.8 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	824.1 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	203.6 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	219.8 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	522.8 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	512.0 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	304.8 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Tryptophyl-Glutamine	NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CCC(N)=O)C(O)=O	4415.0	Standard polar	33892256
Tryptophyl-Glutamine	NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CCC(N)=O)C(O)=O	2691.7	Standard non polar	33892256
Tryptophyl-Glutamine	NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CCC(N)=O)C(O)=O	3624.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Tryptophyl-Glutamine,1TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCC(N)=O)NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12	3384.2	Semi standard non polar	33892256
Tryptophyl-Glutamine,1TMS,isomer #2	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CCC(N)=O)C(=O)O	3471.9	Semi standard non polar	33892256
Tryptophyl-Glutamine,1TMS,isomer #3	C[Si](C)(C)NC(=O)CCC(NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(=O)O	3449.4	Semi standard non polar	33892256
Tryptophyl-Glutamine,1TMS,isomer #4	C[Si](C)(C)N1C=C(CC(N)C(=O)NC(CCC(N)=O)C(=O)O)C2=CC=CC=C21	3407.2	Semi standard non polar	33892256
Tryptophyl-Glutamine,1TMS,isomer #5	C[Si](C)(C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(CCC(N)=O)C(=O)O	3411.4	Semi standard non polar	33892256
Tryptophyl-Glutamine,2TMS,isomer #1	C[Si](C)(C)NC(=O)CCC(NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3336.5	Semi standard non polar	33892256
Tryptophyl-Glutamine,2TMS,isomer #1	C[Si](C)(C)NC(=O)CCC(NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3050.7	Standard non polar	33892256
Tryptophyl-Glutamine,2TMS,isomer #10	C[Si](C)(C)NC(=O)CCC(C(=O)O)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C	3374.4	Semi standard non polar	33892256
Tryptophyl-Glutamine,2TMS,isomer #10	C[Si](C)(C)NC(=O)CCC(C(=O)O)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C	3126.6	Standard non polar	33892256
Tryptophyl-Glutamine,2TMS,isomer #11	C[Si](C)(C)NC(=O)CCC(NC(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3400.2	Semi standard non polar	33892256
Tryptophyl-Glutamine,2TMS,isomer #11	C[Si](C)(C)NC(=O)CCC(NC(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3149.7	Standard non polar	33892256
Tryptophyl-Glutamine,2TMS,isomer #12	C[Si](C)(C)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(CCC(N)=O)C(=O)O	3324.9	Semi standard non polar	33892256
Tryptophyl-Glutamine,2TMS,isomer #12	C[Si](C)(C)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(CCC(N)=O)C(=O)O	3035.1	Standard non polar	33892256
Tryptophyl-Glutamine,2TMS,isomer #2	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CCC(N)=O)C(=O)O[Si](C)(C)C	3355.0	Semi standard non polar	33892256
Tryptophyl-Glutamine,2TMS,isomer #2	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CCC(N)=O)C(=O)O[Si](C)(C)C	3015.7	Standard non polar	33892256
Tryptophyl-Glutamine,2TMS,isomer #3	C[Si](C)(C)OC(=O)C(CCC(N)=O)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C	3332.6	Semi standard non polar	33892256
Tryptophyl-Glutamine,2TMS,isomer #3	C[Si](C)(C)OC(=O)C(CCC(N)=O)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C	2987.2	Standard non polar	33892256
Tryptophyl-Glutamine,2TMS,isomer #4	C[Si](C)(C)OC(=O)C(CCC(N)=O)NC(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12	3300.3	Semi standard non polar	33892256
Tryptophyl-Glutamine,2TMS,isomer #4	C[Si](C)(C)OC(=O)C(CCC(N)=O)NC(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12	2964.6	Standard non polar	33892256
Tryptophyl-Glutamine,2TMS,isomer #5	C[Si](C)(C)NC(=O)CCC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C)C(=O)O	3441.2	Semi standard non polar	33892256
Tryptophyl-Glutamine,2TMS,isomer #5	C[Si](C)(C)NC(=O)CCC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C)C(=O)O	3170.4	Standard non polar	33892256
Tryptophyl-Glutamine,2TMS,isomer #6	C[Si](C)(C)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CCC(N)=O)C(=O)O)[Si](C)(C)C	3514.1	Semi standard non polar	33892256
Tryptophyl-Glutamine,2TMS,isomer #6	C[Si](C)(C)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CCC(N)=O)C(=O)O)[Si](C)(C)C	3151.1	Standard non polar	33892256
Tryptophyl-Glutamine,2TMS,isomer #7	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CCC(N)=O)C(=O)O	3404.3	Semi standard non polar	33892256
Tryptophyl-Glutamine,2TMS,isomer #7	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CCC(N)=O)C(=O)O	3098.5	Standard non polar	33892256
Tryptophyl-Glutamine,2TMS,isomer #8	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CCC(N)=O)C(=O)O)[Si](C)(C)C	3378.4	Semi standard non polar	33892256
Tryptophyl-Glutamine,2TMS,isomer #8	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CCC(N)=O)C(=O)O)[Si](C)(C)C	3075.3	Standard non polar	33892256
Tryptophyl-Glutamine,2TMS,isomer #9	C[Si](C)(C)N(C(=O)CCC(NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3479.9	Semi standard non polar	33892256
Tryptophyl-Glutamine,2TMS,isomer #9	C[Si](C)(C)N(C(=O)CCC(NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3176.2	Standard non polar	33892256
Tryptophyl-Glutamine,3TMS,isomer #1	C[Si](C)(C)NC(=O)CCC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3326.2	Semi standard non polar	33892256
Tryptophyl-Glutamine,3TMS,isomer #1	C[Si](C)(C)NC(=O)CCC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3147.8	Standard non polar	33892256
Tryptophyl-Glutamine,3TMS,isomer #10	C[Si](C)(C)NC(=O)CCC(C(=O)O)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C)[Si](C)(C)C	3360.4	Semi standard non polar	33892256
Tryptophyl-Glutamine,3TMS,isomer #10	C[Si](C)(C)NC(=O)CCC(C(=O)O)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C)[Si](C)(C)C	3232.1	Standard non polar	33892256
Tryptophyl-Glutamine,3TMS,isomer #11	C[Si](C)(C)NC(=O)CCC(NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C)C(=O)O	3384.7	Semi standard non polar	33892256
Tryptophyl-Glutamine,3TMS,isomer #11	C[Si](C)(C)NC(=O)CCC(NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C)C(=O)O	3212.1	Standard non polar	33892256
Tryptophyl-Glutamine,3TMS,isomer #12	C[Si](C)(C)NC(=O)CCC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3491.3	Semi standard non polar	33892256
Tryptophyl-Glutamine,3TMS,isomer #12	C[Si](C)(C)NC(=O)CCC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3287.1	Standard non polar	33892256
Tryptophyl-Glutamine,3TMS,isomer #13	C[Si](C)(C)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CCC(N)=O)C(=O)O)[Si](C)(C)C	3460.8	Semi standard non polar	33892256
Tryptophyl-Glutamine,3TMS,isomer #13	C[Si](C)(C)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CCC(N)=O)C(=O)O)[Si](C)(C)C	3221.4	Standard non polar	33892256
Tryptophyl-Glutamine,3TMS,isomer #14	C[Si](C)(C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(CCC(N)=O)C(=O)O	3457.1	Semi standard non polar	33892256
Tryptophyl-Glutamine,3TMS,isomer #14	C[Si](C)(C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(CCC(N)=O)C(=O)O	3215.1	Standard non polar	33892256
Tryptophyl-Glutamine,3TMS,isomer #15	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CCC(N)=O)C(=O)O)[Si](C)(C)C	3319.4	Semi standard non polar	33892256
Tryptophyl-Glutamine,3TMS,isomer #15	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CCC(N)=O)C(=O)O)[Si](C)(C)C	3128.7	Standard non polar	33892256
Tryptophyl-Glutamine,3TMS,isomer #16	C[Si](C)(C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3416.5	Semi standard non polar	33892256
Tryptophyl-Glutamine,3TMS,isomer #16	C[Si](C)(C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3228.3	Standard non polar	33892256
Tryptophyl-Glutamine,3TMS,isomer #17	C[Si](C)(C)N(C(=O)CCC(NC(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3457.5	Semi standard non polar	33892256
Tryptophyl-Glutamine,3TMS,isomer #17	C[Si](C)(C)N(C(=O)CCC(NC(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3236.0	Standard non polar	33892256
Tryptophyl-Glutamine,3TMS,isomer #18	C[Si](C)(C)NC(=O)CCC(C(=O)O)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)[Si](C)(C)C	3301.8	Semi standard non polar	33892256
Tryptophyl-Glutamine,3TMS,isomer #18	C[Si](C)(C)NC(=O)CCC(C(=O)O)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)[Si](C)(C)C	3161.2	Standard non polar	33892256
Tryptophyl-Glutamine,3TMS,isomer #2	C[Si](C)(C)OC(=O)C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12	3369.0	Semi standard non polar	33892256
Tryptophyl-Glutamine,3TMS,isomer #2	C[Si](C)(C)OC(=O)C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12	3155.3	Standard non polar	33892256
Tryptophyl-Glutamine,3TMS,isomer #3	C[Si](C)(C)NC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C	3287.1	Semi standard non polar	33892256
Tryptophyl-Glutamine,3TMS,isomer #3	C[Si](C)(C)NC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C	3124.6	Standard non polar	33892256
Tryptophyl-Glutamine,3TMS,isomer #4	C[Si](C)(C)NC(=O)CCC(NC(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3273.3	Semi standard non polar	33892256
Tryptophyl-Glutamine,3TMS,isomer #4	C[Si](C)(C)NC(=O)CCC(NC(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3082.6	Standard non polar	33892256
Tryptophyl-Glutamine,3TMS,isomer #5	C[Si](C)(C)OC(=O)C(CCC(N)=O)NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3402.1	Semi standard non polar	33892256
Tryptophyl-Glutamine,3TMS,isomer #5	C[Si](C)(C)OC(=O)C(CCC(N)=O)NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3163.3	Standard non polar	33892256
Tryptophyl-Glutamine,3TMS,isomer #6	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CCC(N)=O)C(=O)O[Si](C)(C)C	3275.0	Semi standard non polar	33892256
Tryptophyl-Glutamine,3TMS,isomer #6	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CCC(N)=O)C(=O)O[Si](C)(C)C	3051.3	Standard non polar	33892256
Tryptophyl-Glutamine,3TMS,isomer #7	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3296.3	Semi standard non polar	33892256
Tryptophyl-Glutamine,3TMS,isomer #7	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3088.5	Standard non polar	33892256
Tryptophyl-Glutamine,3TMS,isomer #8	C[Si](C)(C)OC(=O)C(CCC(N)=O)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)[Si](C)(C)C	3256.4	Semi standard non polar	33892256
Tryptophyl-Glutamine,3TMS,isomer #8	C[Si](C)(C)OC(=O)C(CCC(N)=O)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)[Si](C)(C)C	3033.6	Standard non polar	33892256
Tryptophyl-Glutamine,3TMS,isomer #9	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3449.9	Semi standard non polar	33892256
Tryptophyl-Glutamine,3TMS,isomer #9	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3254.7	Standard non polar	33892256
Tryptophyl-Glutamine,4TMS,isomer #1	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3383.1	Semi standard non polar	33892256
Tryptophyl-Glutamine,4TMS,isomer #1	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3242.6	Standard non polar	33892256
Tryptophyl-Glutamine,4TMS,isomer #10	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3251.4	Semi standard non polar	33892256
Tryptophyl-Glutamine,4TMS,isomer #10	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3120.7	Standard non polar	33892256
Tryptophyl-Glutamine,4TMS,isomer #11	C[Si](C)(C)N(C(=O)CCC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3559.0	Semi standard non polar	33892256
Tryptophyl-Glutamine,4TMS,isomer #11	C[Si](C)(C)N(C(=O)CCC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3377.8	Standard non polar	33892256
Tryptophyl-Glutamine,4TMS,isomer #12	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3448.9	Semi standard non polar	33892256
Tryptophyl-Glutamine,4TMS,isomer #12	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3296.8	Standard non polar	33892256
Tryptophyl-Glutamine,4TMS,isomer #13	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3414.4	Semi standard non polar	33892256
Tryptophyl-Glutamine,4TMS,isomer #13	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3324.9	Standard non polar	33892256
Tryptophyl-Glutamine,4TMS,isomer #14	C[Si](C)(C)NC(=O)CCC(C(=O)O)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C)[Si](C)(C)C	3312.4	Semi standard non polar	33892256
Tryptophyl-Glutamine,4TMS,isomer #14	C[Si](C)(C)NC(=O)CCC(C(=O)O)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C)[Si](C)(C)C	3249.0	Standard non polar	33892256
Tryptophyl-Glutamine,4TMS,isomer #15	C[Si](C)(C)NC(=O)CCC(C(=O)O)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3430.8	Semi standard non polar	33892256
Tryptophyl-Glutamine,4TMS,isomer #15	C[Si](C)(C)NC(=O)CCC(C(=O)O)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3346.4	Standard non polar	33892256
Tryptophyl-Glutamine,4TMS,isomer #16	C[Si](C)(C)NC(=O)CCC(NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3468.3	Semi standard non polar	33892256
Tryptophyl-Glutamine,4TMS,isomer #16	C[Si](C)(C)NC(=O)CCC(NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3326.8	Standard non polar	33892256
Tryptophyl-Glutamine,4TMS,isomer #17	C[Si](C)(C)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(CCC(N)=O)C(=O)O	3439.5	Semi standard non polar	33892256
Tryptophyl-Glutamine,4TMS,isomer #17	C[Si](C)(C)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(CCC(N)=O)C(=O)O	3261.2	Standard non polar	33892256
Tryptophyl-Glutamine,4TMS,isomer #18	C[Si](C)(C)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3404.1	Semi standard non polar	33892256
Tryptophyl-Glutamine,4TMS,isomer #18	C[Si](C)(C)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3265.9	Standard non polar	33892256
Tryptophyl-Glutamine,4TMS,isomer #2	C[Si](C)(C)NC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C)[Si](C)(C)C	3295.1	Semi standard non polar	33892256
Tryptophyl-Glutamine,4TMS,isomer #2	C[Si](C)(C)NC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C)[Si](C)(C)C	3216.5	Standard non polar	33892256
Tryptophyl-Glutamine,4TMS,isomer #3	C[Si](C)(C)NC(=O)CCC(NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3288.5	Semi standard non polar	33892256
Tryptophyl-Glutamine,4TMS,isomer #3	C[Si](C)(C)NC(=O)CCC(NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3160.7	Standard non polar	33892256
Tryptophyl-Glutamine,4TMS,isomer #4	C[Si](C)(C)NC(=O)CCC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3399.3	Semi standard non polar	33892256
Tryptophyl-Glutamine,4TMS,isomer #4	C[Si](C)(C)NC(=O)CCC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3272.3	Standard non polar	33892256
Tryptophyl-Glutamine,4TMS,isomer #5	C[Si](C)(C)OC(=O)C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C	3349.5	Semi standard non polar	33892256
Tryptophyl-Glutamine,4TMS,isomer #5	C[Si](C)(C)OC(=O)C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C	3231.1	Standard non polar	33892256
Tryptophyl-Glutamine,4TMS,isomer #6	C[Si](C)(C)OC(=O)C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12	3354.1	Semi standard non polar	33892256
Tryptophyl-Glutamine,4TMS,isomer #6	C[Si](C)(C)OC(=O)C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12	3196.1	Standard non polar	33892256
Tryptophyl-Glutamine,4TMS,isomer #7	C[Si](C)(C)NC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)[Si](C)(C)C	3224.5	Semi standard non polar	33892256
Tryptophyl-Glutamine,4TMS,isomer #7	C[Si](C)(C)NC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)[Si](C)(C)C	3142.6	Standard non polar	33892256
Tryptophyl-Glutamine,4TMS,isomer #8	C[Si](C)(C)OC(=O)C(CCC(N)=O)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3407.6	Semi standard non polar	33892256
Tryptophyl-Glutamine,4TMS,isomer #8	C[Si](C)(C)OC(=O)C(CCC(N)=O)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3236.5	Standard non polar	33892256
Tryptophyl-Glutamine,4TMS,isomer #9	C[Si](C)(C)OC(=O)C(CCC(N)=O)NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3363.8	Semi standard non polar	33892256
Tryptophyl-Glutamine,4TMS,isomer #9	C[Si](C)(C)OC(=O)C(CCC(N)=O)NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3193.8	Standard non polar	33892256
Tryptophyl-Glutamine,5TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3518.4	Semi standard non polar	33892256
Tryptophyl-Glutamine,5TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3370.0	Standard non polar	33892256
Tryptophyl-Glutamine,5TMS,isomer #10	C[Si](C)(C)N(C(=O)CCC(NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3565.4	Semi standard non polar	33892256
Tryptophyl-Glutamine,5TMS,isomer #10	C[Si](C)(C)N(C(=O)CCC(NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3419.4	Standard non polar	33892256
Tryptophyl-Glutamine,5TMS,isomer #11	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3415.6	Semi standard non polar	33892256
Tryptophyl-Glutamine,5TMS,isomer #11	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3344.7	Standard non polar	33892256
Tryptophyl-Glutamine,5TMS,isomer #12	C[Si](C)(C)NC(=O)CCC(C(=O)O)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3442.4	Semi standard non polar	33892256
Tryptophyl-Glutamine,5TMS,isomer #12	C[Si](C)(C)NC(=O)CCC(C(=O)O)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3365.4	Standard non polar	33892256
Tryptophyl-Glutamine,5TMS,isomer #2	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3368.7	Semi standard non polar	33892256
Tryptophyl-Glutamine,5TMS,isomer #2	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3259.4	Standard non polar	33892256
Tryptophyl-Glutamine,5TMS,isomer #3	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3377.7	Semi standard non polar	33892256
Tryptophyl-Glutamine,5TMS,isomer #3	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3321.0	Standard non polar	33892256
Tryptophyl-Glutamine,5TMS,isomer #4	C[Si](C)(C)NC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C)[Si](C)(C)C	3256.4	Semi standard non polar	33892256
Tryptophyl-Glutamine,5TMS,isomer #4	C[Si](C)(C)NC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C)[Si](C)(C)C	3231.7	Standard non polar	33892256
Tryptophyl-Glutamine,5TMS,isomer #5	C[Si](C)(C)NC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3412.4	Semi standard non polar	33892256
Tryptophyl-Glutamine,5TMS,isomer #5	C[Si](C)(C)NC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3342.0	Standard non polar	33892256
Tryptophyl-Glutamine,5TMS,isomer #6	C[Si](C)(C)NC(=O)CCC(NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3396.8	Semi standard non polar	33892256
Tryptophyl-Glutamine,5TMS,isomer #6	C[Si](C)(C)NC(=O)CCC(NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3288.9	Standard non polar	33892256
Tryptophyl-Glutamine,5TMS,isomer #7	C[Si](C)(C)OC(=O)C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)[Si](C)(C)C	3347.3	Semi standard non polar	33892256
Tryptophyl-Glutamine,5TMS,isomer #7	C[Si](C)(C)OC(=O)C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)[Si](C)(C)C	3248.7	Standard non polar	33892256
Tryptophyl-Glutamine,5TMS,isomer #8	C[Si](C)(C)OC(=O)C(CCC(N)=O)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3410.0	Semi standard non polar	33892256
Tryptophyl-Glutamine,5TMS,isomer #8	C[Si](C)(C)OC(=O)C(CCC(N)=O)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3261.8	Standard non polar	33892256
Tryptophyl-Glutamine,5TMS,isomer #9	C[Si](C)(C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3562.6	Semi standard non polar	33892256
Tryptophyl-Glutamine,5TMS,isomer #9	C[Si](C)(C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3451.7	Standard non polar	33892256
Tryptophyl-Glutamine,6TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3548.6	Semi standard non polar	33892256
Tryptophyl-Glutamine,6TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3449.0	Standard non polar	33892256
Tryptophyl-Glutamine,6TMS,isomer #2	C[Si](C)(C)OC(=O)C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3533.5	Semi standard non polar	33892256
Tryptophyl-Glutamine,6TMS,isomer #2	C[Si](C)(C)OC(=O)C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3385.8	Standard non polar	33892256
Tryptophyl-Glutamine,6TMS,isomer #3	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3378.0	Semi standard non polar	33892256
Tryptophyl-Glutamine,6TMS,isomer #3	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3340.5	Standard non polar	33892256
Tryptophyl-Glutamine,6TMS,isomer #4	C[Si](C)(C)NC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3424.5	Semi standard non polar	33892256
Tryptophyl-Glutamine,6TMS,isomer #4	C[Si](C)(C)NC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3355.5	Standard non polar	33892256
Tryptophyl-Glutamine,6TMS,isomer #5	C[Si](C)(C)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3596.5	Semi standard non polar	33892256
Tryptophyl-Glutamine,6TMS,isomer #5	C[Si](C)(C)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3465.4	Standard non polar	33892256
Tryptophyl-Glutamine,7TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3584.7	Semi standard non polar	33892256
Tryptophyl-Glutamine,7TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3464.4	Standard non polar	33892256
Tryptophyl-Glutamine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(N)=O)NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12	3681.4	Semi standard non polar	33892256
Tryptophyl-Glutamine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CCC(N)=O)C(=O)O	3714.9	Semi standard non polar	33892256
Tryptophyl-Glutamine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CCC(NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(=O)O	3708.9	Semi standard non polar	33892256
Tryptophyl-Glutamine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N1C=C(CC(N)C(=O)NC(CCC(N)=O)C(=O)O)C2=CC=CC=C21	3651.0	Semi standard non polar	33892256
Tryptophyl-Glutamine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(CCC(N)=O)C(=O)O	3684.7	Semi standard non polar	33892256
Tryptophyl-Glutamine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)CCC(NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	3846.2	Semi standard non polar	33892256
Tryptophyl-Glutamine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)CCC(NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	3465.7	Standard non polar	33892256
Tryptophyl-Glutamine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)CCC(C(=O)O)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	3885.0	Semi standard non polar	33892256
Tryptophyl-Glutamine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)CCC(C(=O)O)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	3506.8	Standard non polar	33892256
Tryptophyl-Glutamine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)CCC(NC(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	3884.8	Semi standard non polar	33892256
Tryptophyl-Glutamine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)CCC(NC(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	3515.6	Standard non polar	33892256
Tryptophyl-Glutamine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(CCC(N)=O)C(=O)O	3845.9	Semi standard non polar	33892256
Tryptophyl-Glutamine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(CCC(N)=O)C(=O)O	3417.9	Standard non polar	33892256
Tryptophyl-Glutamine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3867.6	Semi standard non polar	33892256
Tryptophyl-Glutamine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3458.1	Standard non polar	33892256
Tryptophyl-Glutamine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(N)=O)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	3860.1	Semi standard non polar	33892256
Tryptophyl-Glutamine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(N)=O)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	3409.0	Standard non polar	33892256
Tryptophyl-Glutamine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(N)=O)NC(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12	3808.6	Semi standard non polar	33892256
Tryptophyl-Glutamine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(N)=O)NC(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12	3386.2	Standard non polar	33892256
Tryptophyl-Glutamine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)CCC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)C(=O)O	3917.2	Semi standard non polar	33892256
Tryptophyl-Glutamine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)CCC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)C(=O)O	3560.9	Standard non polar	33892256
Tryptophyl-Glutamine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	4021.1	Semi standard non polar	33892256
Tryptophyl-Glutamine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3541.9	Standard non polar	33892256
Tryptophyl-Glutamine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CCC(N)=O)C(=O)O	3862.6	Semi standard non polar	33892256
Tryptophyl-Glutamine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CCC(N)=O)C(=O)O	3495.1	Standard non polar	33892256
Tryptophyl-Glutamine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3891.4	Semi standard non polar	33892256
Tryptophyl-Glutamine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3490.5	Standard non polar	33892256
Tryptophyl-Glutamine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C(=O)CCC(NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	4001.6	Semi standard non polar	33892256
Tryptophyl-Glutamine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C(=O)CCC(NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3561.9	Standard non polar	33892256
Tryptophyl-Glutamine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)CCC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4015.8	Semi standard non polar	33892256
Tryptophyl-Glutamine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)CCC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3729.2	Standard non polar	33892256
Tryptophyl-Glutamine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)CCC(C(=O)O)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4075.3	Semi standard non polar	33892256
Tryptophyl-Glutamine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)CCC(C(=O)O)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3776.4	Standard non polar	33892256
Tryptophyl-Glutamine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)CCC(NC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)C(=O)O	4053.4	Semi standard non polar	33892256
Tryptophyl-Glutamine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)CCC(NC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)C(=O)O	3739.5	Standard non polar	33892256
Tryptophyl-Glutamine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=O)CCC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4217.2	Semi standard non polar	33892256
Tryptophyl-Glutamine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=O)CCC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3811.5	Standard non polar	33892256
Tryptophyl-Glutamine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	4179.5	Semi standard non polar	33892256
Tryptophyl-Glutamine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3738.3	Standard non polar	33892256
Tryptophyl-Glutamine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CCC(N)=O)C(=O)O	4199.3	Semi standard non polar	33892256
Tryptophyl-Glutamine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CCC(N)=O)C(=O)O	3755.1	Standard non polar	33892256
Tryptophyl-Glutamine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N(C(CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	4037.0	Semi standard non polar	33892256
Tryptophyl-Glutamine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N(C(CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3675.4	Standard non polar	33892256
Tryptophyl-Glutamine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4181.7	Semi standard non polar	33892256
Tryptophyl-Glutamine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3738.0	Standard non polar	33892256
Tryptophyl-Glutamine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)CCC(NC(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	4153.2	Semi standard non polar	33892256
Tryptophyl-Glutamine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)CCC(NC(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3760.5	Standard non polar	33892256
Tryptophyl-Glutamine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(=O)CCC(C(=O)O)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	4035.4	Semi standard non polar	33892256
Tryptophyl-Glutamine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(=O)CCC(C(=O)O)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	3663.6	Standard non polar	33892256
Tryptophyl-Glutamine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12	4125.3	Semi standard non polar	33892256
Tryptophyl-Glutamine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12	3727.2	Standard non polar	33892256
Tryptophyl-Glutamine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	4027.1	Semi standard non polar	33892256
Tryptophyl-Glutamine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	3682.0	Standard non polar	33892256
Tryptophyl-Glutamine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)CCC(NC(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	3947.9	Semi standard non polar	33892256
Tryptophyl-Glutamine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)CCC(NC(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	3638.7	Standard non polar	33892256
Tryptophyl-Glutamine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(N)=O)NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4172.8	Semi standard non polar	33892256
Tryptophyl-Glutamine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(N)=O)NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3720.8	Standard non polar	33892256
Tryptophyl-Glutamine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3968.5	Semi standard non polar	33892256
Tryptophyl-Glutamine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3632.2	Standard non polar	33892256
Tryptophyl-Glutamine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4049.6	Semi standard non polar	33892256
Tryptophyl-Glutamine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3695.4	Standard non polar	33892256
Tryptophyl-Glutamine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(N)=O)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	3978.0	Semi standard non polar	33892256
Tryptophyl-Glutamine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(N)=O)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	3596.9	Standard non polar	33892256
Tryptophyl-Glutamine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4193.7	Semi standard non polar	33892256
Tryptophyl-Glutamine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3810.1	Standard non polar	33892256
Tryptophyl-Glutamine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4271.2	Semi standard non polar	33892256
Tryptophyl-Glutamine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3941.8	Standard non polar	33892256
Tryptophyl-Glutamine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N(C(CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4124.8	Semi standard non polar	33892256
Tryptophyl-Glutamine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N(C(CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3824.3	Standard non polar	33892256
Tryptophyl-Glutamine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(=O)CCC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4495.2	Semi standard non polar	33892256
Tryptophyl-Glutamine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(=O)CCC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4029.1	Standard non polar	33892256
Tryptophyl-Glutamine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4289.7	Semi standard non polar	33892256
Tryptophyl-Glutamine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3946.8	Standard non polar	33892256
Tryptophyl-Glutamine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4341.6	Semi standard non polar	33892256
Tryptophyl-Glutamine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3987.1	Standard non polar	33892256
Tryptophyl-Glutamine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=O)CCC(C(=O)O)N(C(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4159.1	Semi standard non polar	33892256
Tryptophyl-Glutamine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=O)CCC(C(=O)O)N(C(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3888.0	Standard non polar	33892256
Tryptophyl-Glutamine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(=O)CCC(C(=O)O)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4377.3	Semi standard non polar	33892256
Tryptophyl-Glutamine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(=O)CCC(C(=O)O)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3996.7	Standard non polar	33892256
Tryptophyl-Glutamine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)CCC(NC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4348.1	Semi standard non polar	33892256
Tryptophyl-Glutamine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)CCC(NC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3952.9	Standard non polar	33892256
Tryptophyl-Glutamine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CCC(N)=O)C(=O)O	4340.2	Semi standard non polar	33892256
Tryptophyl-Glutamine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CCC(N)=O)C(=O)O	3894.0	Standard non polar	33892256
Tryptophyl-Glutamine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4291.2	Semi standard non polar	33892256
Tryptophyl-Glutamine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3867.9	Standard non polar	33892256
Tryptophyl-Glutamine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4176.2	Semi standard non polar	33892256
Tryptophyl-Glutamine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3924.0	Standard non polar	33892256
Tryptophyl-Glutamine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CCC(NC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4082.2	Semi standard non polar	33892256
Tryptophyl-Glutamine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CCC(NC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3836.5	Standard non polar	33892256
Tryptophyl-Glutamine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)CCC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4345.2	Semi standard non polar	33892256
Tryptophyl-Glutamine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)CCC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3955.6	Standard non polar	33892256
Tryptophyl-Glutamine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	4297.2	Semi standard non polar	33892256
Tryptophyl-Glutamine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	3889.1	Standard non polar	33892256
Tryptophyl-Glutamine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12	4200.6	Semi standard non polar	33892256
Tryptophyl-Glutamine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12	3858.6	Standard non polar	33892256
Tryptophyl-Glutamine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	4098.5	Semi standard non polar	33892256
Tryptophyl-Glutamine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	3798.9	Standard non polar	33892256
Tryptophyl-Glutamine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(N)=O)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4354.7	Semi standard non polar	33892256
Tryptophyl-Glutamine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(N)=O)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3923.1	Standard non polar	33892256
Tryptophyl-Glutamine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(N)=O)NC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4275.7	Semi standard non polar	33892256
Tryptophyl-Glutamine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(N)=O)NC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3856.1	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Tryptophyl-Glutamine GC-MS (Non-derivatized) - 70eV, Positive	splash10-001c-5941000000-a069234c9e6d48dd1884	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tryptophyl-Glutamine GC-MS (1 TMS) - 70eV, Positive	splash10-052r-4972000000-ec1a8e925eea868af81b	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tryptophyl-Glutamine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tryptophyl-Glutamine 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 - Tryptophyl-Glutamine 10V, Positive-QTOF	splash10-0159-0649000000-23812feacb3ca3b24a7a	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophyl-Glutamine 20V, Positive-QTOF	splash10-0a4l-0921000000-3333099dfeb104924eff	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophyl-Glutamine 40V, Positive-QTOF	splash10-001l-1900000000-0bc804c2b094b3cd9127	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophyl-Glutamine 10V, Negative-QTOF	splash10-001i-0119000000-0bb2dafcf993a23334ac	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophyl-Glutamine 20V, Negative-QTOF	splash10-0ild-4976000000-4c859e7fbfc2e1205833	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophyl-Glutamine 40V, Negative-QTOF	splash10-0006-9500000000-c641914d06423f929918	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophyl-Glutamine 10V, Positive-QTOF	splash10-00lr-0409000000-a566da328827cf539250	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophyl-Glutamine 20V, Positive-QTOF	splash10-001i-0911000000-bd1d8ed9ad25072e434d	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophyl-Glutamine 40V, Positive-QTOF	splash10-000x-2900000000-9eb150a4985c27f60705	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophyl-Glutamine 10V, Negative-QTOF	splash10-01q9-0219000000-633dc19b836a507cf7cd	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophyl-Glutamine 20V, Negative-QTOF	splash10-002f-5913000000-8ccf113d333a5ea7bacf	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophyl-Glutamine 40V, Negative-QTOF	splash10-00kf-5900000000-412416fe0f593a325c05	2021-09-25	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

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

FDB112086

KNApSAcK ID

Not Available

Chemspider ID

16568400

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

18218249

PDB ID

Not Available

ChEBI ID

175247

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 Tryptophyl-Glutamine (HMDB0029081)

MOL for HMDB0029081 (Tryptophyl-Glutamine)

3D MOL for HMDB0029081 (Tryptophyl-Glutamine)

3D SDF for HMDB0029081 (Tryptophyl-Glutamine)

3D-SDF for HMDB0029081 (Tryptophyl-Glutamine)

PDB for HMDB0029081 (Tryptophyl-Glutamine)

3D PDB for HMDB0029081 (Tryptophyl-Glutamine)

SMILES for HMDB0029081 (Tryptophyl-Glutamine)

INCHI for HMDB0029081 (Tryptophyl-Glutamine)

Structure for HMDB0029081 (Tryptophyl-Glutamine)

3D Structure for HMDB0029081 (Tryptophyl-Glutamine)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra