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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2012-09-06 21:02:40 UTC

Update Date

2021-09-14 15:36:53 UTC

HMDB ID

HMDB0028830

Secondary Accession Numbers

HMDB0094678
HMDB28830
HMDB94678

Metabolite Identification

Common Name

Glutamyltryptophan

Description

Glutamyltryptophan is a dipeptide composed of glutamate and tryptophan, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Glutamyltryptophan 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. Glutamyltryptophan can be found in feces (PMID: 27015276 ). The synthetic version of this dipeptide is named Oglufanide. It was originally developed to treat severe infectious disease in Russia (where it is a registered pharmaceutical), and was extensively studied in cancer clinical trials in the United States before being acquired by Implicit Bioscience in 2005. Oglufanide works as a regulator of the body's immune response and is being given by intranasal administration to patients with chronic hepatitis C viral infection (DB05779).

Structure

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

HMDB0028830
     RDKit          3D
Glutamyltryptophan
 43 44  0  0  0  0  0  0  0  0999 V2000
    3.4129   -2.0091    1.4409 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3740   -0.5534    1.3187 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1698   -0.1609    0.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2221    1.3092   -0.1403 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0518    1.6263   -1.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5901    0.6913   -1.9916 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2422    2.9194   -1.7990 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9461   -0.1954    1.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6290    1.0161    1.1583 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9137   -1.1643    1.1120 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4825   -0.8108    0.9894 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0206   -1.2614   -0.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4303   -0.9468   -0.5545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4667   -1.8493   -0.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5987   -1.1991   -0.7209 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3874    0.1035   -0.9697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2091    1.1595   -1.2720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6843    2.4200   -1.4809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3216    2.5878   -1.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5161    1.5287   -1.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0007    0.2656   -0.8634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2181   -1.3370    2.1279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6264   -1.9770    3.0215 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5772   -1.1436    2.2475 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1341   -2.4820    0.5713 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8858   -2.3406    2.2763 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8324   -0.1398    2.2388 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1926   -0.5919    0.1531 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6932   -0.6601   -0.7867 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2060    1.7358   -0.3206 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6180    1.8382    0.7453 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0954    3.4428   -1.6820 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1933   -2.1696    1.1432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5132    0.3168    0.9576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3580   -0.8336   -1.1550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8451   -2.3588   -0.4022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4014   -2.9160   -0.2437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5673   -1.6163   -0.7325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2770    1.0204   -1.3513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3093    3.2490   -1.7155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8968    3.5732   -1.5409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4470    1.6633   -0.9971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2475   -1.7501    2.6536 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
 20 21  2  0
 11 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
  2 27  1  1
  3 28  1  0
  3 29  1  0
  4 30  1  0
  4 31  1  0
  7 32  1  0
 10 33  1  0
 11 34  1  6
 12 35  1  0
 12 36  1  0
 14 37  1  0
 15 38  1  0
 17 39  1  0
 18 40  1  0
 19 41  1  0
 20 42  1  0
 24 43  1  0
M  END


  Mrv1652304062013402D          

 24 25  0  0  0  0            999 V2000
 2500.9690 2498.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2501.6844 2499.2266    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 2501.6844 2500.0503    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2502.3957 2500.4631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2503.1090 2500.0503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2502.3957 2501.2868    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 2501.6824 2501.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2500.9690 2501.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2500.2557 2501.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2499.5444 2501.2868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2500.2557 2502.5216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2503.1090 2501.6978    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2502.3978 2498.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2503.1111 2499.2266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2502.3978 2497.9918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2497.9739 2498.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2498.5871 2497.7516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2499.3719 2498.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2499.5435 2498.8135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2498.9303 2499.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2498.1455 2499.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2500.2581 2499.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2500.0866 2500.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2499.2661 2500.1193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  6  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  4  1  6  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 22 23  2  0  0  0  0
 19 22  1  0  0  0  0
 23 24  1  0  0  0  0
 20 24  1  0  0  0  0
  1 22  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0028830

> <DATABASE_NAME>
hmdb

> <SMILES>
N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C16H19N3O5/c17-11(5-6-14(20)21)15(22)19-13(16(23)24)7-9-8-18-12-4-2-1-3-10(9)12/h1-4,8,11,13,18H,5-7,17H2,(H,19,22)(H,20,21)(H,23,24)/t11-,13-/m0/s1

> <INCHI_KEY>
LLEUXCDZPQOJMY-AAEUAGOBSA-N

> <FORMULA>
C16H19N3O5

> <MOLECULAR_WEIGHT>
333.344

> <EXACT_MASS>
333.132470724

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
33.596899975123904

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-1.49

> <JCHEM_LOGP>
-2.242004030774041

> <ALOGPS_LOGS>
-2.96

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
4.181248937274901

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.4432174759675123

> <JCHEM_PKA_STRONGEST_BASIC>
8.449804385823395

> <JCHEM_POLAR_SURFACE_AREA>
145.51

> <JCHEM_REFRACTIVITY>
84.29060000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.69e-01 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0028830
     RDKit          3D
Glutamyltryptophan
 43 44  0  0  0  0  0  0  0  0999 V2000
    3.4129   -2.0091    1.4409 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3740   -0.5534    1.3187 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1698   -0.1609    0.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2221    1.3092   -0.1403 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0518    1.6263   -1.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5901    0.6913   -1.9916 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2422    2.9194   -1.7990 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9461   -0.1954    1.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6290    1.0161    1.1583 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9137   -1.1643    1.1120 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4825   -0.8108    0.9894 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0206   -1.2614   -0.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4303   -0.9468   -0.5545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4667   -1.8493   -0.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5987   -1.1991   -0.7209 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3874    0.1035   -0.9697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2091    1.1595   -1.2720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6843    2.4200   -1.4809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3216    2.5878   -1.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5161    1.5287   -1.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0007    0.2656   -0.8634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2181   -1.3370    2.1279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6264   -1.9770    3.0215 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5772   -1.1436    2.2475 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1341   -2.4820    0.5713 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8858   -2.3406    2.2763 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8324   -0.1398    2.2388 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1926   -0.5919    0.1531 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6932   -0.6601   -0.7867 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2060    1.7358   -0.3206 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6180    1.8382    0.7453 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0954    3.4428   -1.6820 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1933   -2.1696    1.1432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5132    0.3168    0.9576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3580   -0.8336   -1.1550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8451   -2.3588   -0.4022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4014   -2.9160   -0.2437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5673   -1.6163   -0.7325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2770    1.0204   -1.3513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3093    3.2490   -1.7155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8968    3.5732   -1.5409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4470    1.6633   -0.9971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2475   -1.7501    2.6536 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
 20 21  2  0
 11 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
  2 27  1  1
  3 28  1  0
  3 29  1  0
  4 30  1  0
  4 31  1  0
  7 32  1  0
 10 33  1  0
 11 34  1  6
 12 35  1  0
 12 36  1  0
 14 37  1  0
 15 38  1  0
 17 39  1  0
 18 40  1  0
 19 41  1  0
 20 42  1  0
 24 43  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  C   UNK     0    4668.4754664.456   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    4669.8114665.223   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0    4669.8114666.761   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0    4671.1394667.531   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0    4672.4704666.761   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0    4671.1394669.069   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    4669.8074669.836   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    4668.4754669.069   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    4667.1444669.836   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0    4665.8164669.069   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0    4667.1444671.374   0.000  0.00  0.00           O+0
HETATM   12  N   UNK     0    4672.4704669.836   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0    4671.1434664.456   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0    4672.4744665.223   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0    4671.1434662.918   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0    4662.8854663.500   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    4664.0294662.470   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    4665.4944662.945   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    4665.8154664.452   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    4664.6704665.483   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0    4663.2054665.006   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    4667.1484665.222   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0    4666.8284666.728   0.000  0.00  0.00           C+0
HETATM   24  N   UNK     0    4665.2974666.889   0.000  0.00  0.00           N+0
CONECT    1    2   22                                                       
CONECT    2    1    3   13                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   12                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12    6                                                            
CONECT   13    2   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16   17   21                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   22                                                  
CONECT   20   19   21   24                                                  
CONECT   21   20   16                                                       
CONECT   22   23   19    1                                                  
CONECT   23   22   24                                                       
CONECT   24   23   20                                                       
MASTER        0    0    0    0    0    0    0    0   24    0   50    0
END

COMPND    HMDB0028830
HETATM    1  N1  UNL     1       3.413  -2.009   1.441  1.00  0.00           N  
HETATM    2  C1  UNL     1       3.374  -0.553   1.319  1.00  0.00           C  
HETATM    3  C2  UNL     1       4.170  -0.161   0.104  1.00  0.00           C  
HETATM    4  C3  UNL     1       4.222   1.309  -0.140  1.00  0.00           C  
HETATM    5  C4  UNL     1       5.052   1.626  -1.356  1.00  0.00           C  
HETATM    6  O1  UNL     1       5.590   0.691  -1.992  1.00  0.00           O  
HETATM    7  O2  UNL     1       5.242   2.919  -1.799  1.00  0.00           O  
HETATM    8  C5  UNL     1       1.946  -0.195   1.194  1.00  0.00           C  
HETATM    9  O3  UNL     1       1.629   1.016   1.158  1.00  0.00           O  
HETATM   10  N2  UNL     1       0.914  -1.164   1.112  1.00  0.00           N  
HETATM   11  C6  UNL     1      -0.483  -0.811   0.989  1.00  0.00           C  
HETATM   12  C7  UNL     1      -1.021  -1.261  -0.346  1.00  0.00           C  
HETATM   13  C8  UNL     1      -2.430  -0.947  -0.554  1.00  0.00           C  
HETATM   14  C9  UNL     1      -3.467  -1.849  -0.472  1.00  0.00           C  
HETATM   15  N3  UNL     1      -4.599  -1.199  -0.721  1.00  0.00           N  
HETATM   16  C10 UNL     1      -4.387   0.104  -0.970  1.00  0.00           C  
HETATM   17  C11 UNL     1      -5.209   1.160  -1.272  1.00  0.00           C  
HETATM   18  C12 UNL     1      -4.684   2.420  -1.481  1.00  0.00           C  
HETATM   19  C13 UNL     1      -3.322   2.588  -1.378  1.00  0.00           C  
HETATM   20  C14 UNL     1      -2.516   1.529  -1.077  1.00  0.00           C  
HETATM   21  C15 UNL     1      -3.001   0.266  -0.863  1.00  0.00           C  
HETATM   22  C16 UNL     1      -1.218  -1.337   2.128  1.00  0.00           C  
HETATM   23  O4  UNL     1      -0.626  -1.977   3.022  1.00  0.00           O  
HETATM   24  O5  UNL     1      -2.577  -1.144   2.247  1.00  0.00           O  
HETATM   25  H1  UNL     1       3.134  -2.482   0.571  1.00  0.00           H  
HETATM   26  H2  UNL     1       2.886  -2.341   2.276  1.00  0.00           H  
HETATM   27  H3  UNL     1       3.832  -0.140   2.239  1.00  0.00           H  
HETATM   28  H4  UNL     1       5.193  -0.592   0.153  1.00  0.00           H  
HETATM   29  H5  UNL     1       3.693  -0.660  -0.787  1.00  0.00           H  
HETATM   30  H6  UNL     1       3.206   1.736  -0.321  1.00  0.00           H  
HETATM   31  H7  UNL     1       4.618   1.838   0.745  1.00  0.00           H  
HETATM   32  H8  UNL     1       6.095   3.443  -1.682  1.00  0.00           H  
HETATM   33  H9  UNL     1       1.193  -2.170   1.143  1.00  0.00           H  
HETATM   34  H10 UNL     1      -0.513   0.317   0.958  1.00  0.00           H  
HETATM   35  H11 UNL     1      -0.358  -0.834  -1.155  1.00  0.00           H  
HETATM   36  H12 UNL     1      -0.845  -2.359  -0.402  1.00  0.00           H  
HETATM   37  H13 UNL     1      -3.401  -2.916  -0.244  1.00  0.00           H  
HETATM   38  H14 UNL     1      -5.567  -1.616  -0.733  1.00  0.00           H  
HETATM   39  H15 UNL     1      -6.277   1.020  -1.351  1.00  0.00           H  
HETATM   40  H16 UNL     1      -5.309   3.249  -1.716  1.00  0.00           H  
HETATM   41  H17 UNL     1      -2.897   3.573  -1.541  1.00  0.00           H  
HETATM   42  H18 UNL     1      -1.447   1.663  -0.997  1.00  0.00           H  
HETATM   43  H19 UNL     1      -3.248  -1.750   2.654  1.00  0.00           H  
CONECT    1    2   25   26
CONECT    2    3    8   27
CONECT    3    4   28   29
CONECT    4    5   30   31
CONECT    5    6    6    7
CONECT    7   32
CONECT    8    9    9   10
CONECT   10   11   33
CONECT   11   12   22   34
CONECT   12   13   35   36
CONECT   13   14   14   21
CONECT   14   15   37
CONECT   15   16   38
CONECT   16   17   17   21
CONECT   17   18   39
CONECT   18   19   19   40
CONECT   19   20   41
CONECT   20   21   21   42
CONECT   22   23   23   24
CONECT   24   43
END

HMDB0028830
     RDKit          3D
Glutamyltryptophan
 43 44  0  0  0  0  0  0  0  0999 V2000
    3.4129   -2.0091    1.4409 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3740   -0.5534    1.3187 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1698   -0.1609    0.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2221    1.3092   -0.1403 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0518    1.6263   -1.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5901    0.6913   -1.9916 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2422    2.9194   -1.7990 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9461   -0.1954    1.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6290    1.0161    1.1583 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9137   -1.1643    1.1120 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4825   -0.8108    0.9894 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0206   -1.2614   -0.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4303   -0.9468   -0.5545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4667   -1.8493   -0.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5987   -1.1991   -0.7209 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3874    0.1035   -0.9697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2091    1.1595   -1.2720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6843    2.4200   -1.4809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3216    2.5878   -1.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5161    1.5287   -1.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0007    0.2656   -0.8634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2181   -1.3370    2.1279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6264   -1.9770    3.0215 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5772   -1.1436    2.2475 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1341   -2.4820    0.5713 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8858   -2.3406    2.2763 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8324   -0.1398    2.2388 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1926   -0.5919    0.1531 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6932   -0.6601   -0.7867 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2060    1.7358   -0.3206 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6180    1.8382    0.7453 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0954    3.4428   -1.6820 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1933   -2.1696    1.1432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5132    0.3168    0.9576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3580   -0.8336   -1.1550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8451   -2.3588   -0.4022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4014   -2.9160   -0.2437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5673   -1.6163   -0.7325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2770    1.0204   -1.3513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3093    3.2490   -1.7155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8968    3.5732   -1.5409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4470    1.6633   -0.9971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2475   -1.7501    2.6536 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
 20 21  2  0
 11 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
  2 27  1  1
  3 28  1  0
  3 29  1  0
  4 30  1  0
  4 31  1  0
  7 32  1  0
 10 33  1  0
 11 34  1  6
 12 35  1  0
 12 36  1  0
 14 37  1  0
 15 38  1  0
 17 39  1  0
 18 40  1  0
 19 41  1  0
 20 42  1  0
 24 43  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
alpha-Glu-TRP	ChEBI
alpha-Glutamyltryptophan	ChEBI
L-alpha-Glu-L-TRP	ChEBI
L-Glu-L-TRP	ChEBI
Oglufanide	ChEBI
a-Glu-TRP	Generator
Α-glu-TRP	Generator
a-Glutamyltryptophan	Generator
Α-glutamyltryptophan	Generator
L-a-Glu-L-TRP	Generator
L-Α-glu-L-TRP	Generator
Glu-TRP	HMDB
L-alpha-Glutamyl-L-tryptophan	HMDB
Α-L-glu-L-TRP	HMDB
Α-L-glutamyl-L-tryptophan	HMDB
L-Α-glutamyl-L-tryptophan	HMDB
N-Α-glutamyltryptophan	HMDB
N-Α-L-glutamyl-L-tryptophan	HMDB
N-L-Α-glutamyltryptophan	HMDB
N-L-Α-glutamyl-L-tryptophan	HMDB
alpha-L-Glu-L-TRP	HMDB
alpha-L-Glutamyl-L-tryptophan	HMDB
N-alpha-Glutamyltryptophan	HMDB
N-alpha-L-Glutamyl-L-tryptophan	HMDB
N-L-alpha-Glutamyltryptophan	HMDB
N-L-alpha-Glutamyl-L-tryptophan	HMDB
IM 862	HMDB
NSC 334073	HMDB
Thymogen	HMDB
Timogen	HMDB
L-Glutamyl-L-tryptophan	HMDB
N-Glutamyltryptophan	HMDB
N-L-Glutamyl-L-tryptophan	HMDB
Glutamyl-tryptophan	HMDB
Glutamic acid tryptophan dipeptide	HMDB
Glutamate tryptophan dipeptide	HMDB
Glutamic acid-tryptophan dipeptide	HMDB
Glutamate-tryptophan dipeptide	HMDB
e-W Dipeptide	HMDB
EW dipeptide	HMDB
Glutamyltryptophan	HMDB, ChEBI

Chemical Formula

C₁₆H₁₉N₃O₅

Average Molecular Weight

333.344

Monoisotopic Molecular Weight

333.132470724

IUPAC Name

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

Traditional Name

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

CAS Registry Number

38101-59-6

SMILES

N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O

InChI Identifier

InChI=1S/C16H19N3O5/c17-11(5-6-14(20)21)15(22)19-13(16(23)24)7-9-8-18-12-4-2-1-3-10(9)12/h1-4,8,11,13,18H,5-7,17H2,(H,19,22)(H,20,21)(H,23,24)/t11-,13-/m0/s1

InChI Key

LLEUXCDZPQOJMY-AAEUAGOBSA-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
Gamma amino acid or derivatives
Alpha-amino acid or derivatives
3-alkylindole
Indole
Indole or derivatives
Amino fatty acid
Dicarboxylic acid or derivatives
Substituted pyrrole
Fatty acyl
Benzenoid
Pyrrole
Heteroaromatic compound
Amino acid or derivatives
Amino acid
Organoheterocyclic compound
Organic 1,3-dipolar compound
Azacycle
Propargyl-type 1,3-dipolar organic compound
Carboximidic acid
Carboximidic acid derivative
Carboxylic acid
Amine
Organic oxide
Organopnictogen compound
Organic nitrogen compound
Primary aliphatic amine
Hydrocarbon derivative
Organonitrogen compound
Carbonyl group
Organic oxygen compound
Organooxygen compound
Primary amine
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

dipeptide (CHEBI:73512 )

Ontology

Not Available

Feces (PMID: 27015276)

Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)
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)

Equine

Horse (FooDB: FOOD00378)

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)

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	-2.24	Extrapolated

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	1 g/L	ALOGPS
logP	-1.5	ALOGPS
logP	-2.2	ChemAxon
logS	-3	ALOGPS
pKa (Strongest Acidic)	3.44	ChemAxon
pKa (Strongest Basic)	8.45	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	145.51 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	84.29 m³·mol⁻¹	ChemAxon
Polarizability	33.6 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
DeepCCS	[M-2H]-	209.279	30932474
DeepCCS	[M+Na]+	184.506	30932474
AllCCS	[M+H]+	176.1	32859911
AllCCS	[M+H-H2O]+	173.2	32859911
AllCCS	[M+NH4]+	178.7	32859911
AllCCS	[M+Na]+	179.4	32859911
AllCCS	[M-H]-	177.2	32859911
AllCCS	[M+Na-2H]-	177.2	32859911
AllCCS	[M+HCOO]-	177.4	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Glutamyltryptophan	N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O	4467.1	Standard polar	33892256
Glutamyltryptophan	N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O	2432.8	Standard non polar	33892256
Glutamyltryptophan	N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O	3369.1	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Glutamyltryptophan,1TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O	3236.0	Semi standard non polar	33892256
Glutamyltryptophan,1TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H](N)CCC(=O)O	3222.4	Semi standard non polar	33892256
Glutamyltryptophan,1TMS,isomer #3	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O	3268.7	Semi standard non polar	33892256
Glutamyltryptophan,1TMS,isomer #4	C[Si](C)(C)N(C(=O)[C@@H](N)CCC(=O)O)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O	3237.7	Semi standard non polar	33892256
Glutamyltryptophan,1TMS,isomer #5	C[Si](C)(C)N1C=C(C[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)O)C2=CC=CC=C21	3268.3	Semi standard non polar	33892256
Glutamyltryptophan,2TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3192.9	Semi standard non polar	33892256
Glutamyltryptophan,2TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3256.0	Semi standard non polar	33892256
Glutamyltryptophan,2TMS,isomer #11	C[Si](C)(C)N(C(=O)[C@@H](N)CCC(=O)O)[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3184.1	Semi standard non polar	33892256
Glutamyltryptophan,2TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O	3226.2	Semi standard non polar	33892256
Glutamyltryptophan,2TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3178.1	Semi standard non polar	33892256
Glutamyltryptophan,2TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3216.9	Semi standard non polar	33892256
Glutamyltryptophan,2TMS,isomer #5	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3213.8	Semi standard non polar	33892256
Glutamyltryptophan,2TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H](N)CCC(=O)O	3203.1	Semi standard non polar	33892256
Glutamyltryptophan,2TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C	3161.3	Semi standard non polar	33892256
Glutamyltryptophan,2TMS,isomer #8	C[Si](C)(C)N([C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3355.5	Semi standard non polar	33892256
Glutamyltryptophan,2TMS,isomer #9	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3219.8	Semi standard non polar	33892256
Glutamyltryptophan,3TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3204.8	Semi standard non polar	33892256
Glutamyltryptophan,3TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3092.1	Standard non polar	33892256
Glutamyltryptophan,3TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3206.9	Semi standard non polar	33892256
Glutamyltryptophan,3TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3057.7	Standard non polar	33892256
Glutamyltryptophan,3TMS,isomer #11	C[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C	3131.3	Semi standard non polar	33892256
Glutamyltryptophan,3TMS,isomer #11	C[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C	3032.6	Standard non polar	33892256
Glutamyltryptophan,3TMS,isomer #12	C[Si](C)(C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O	3311.1	Semi standard non polar	33892256
Glutamyltryptophan,3TMS,isomer #12	C[Si](C)(C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O	3216.2	Standard non polar	33892256
Glutamyltryptophan,3TMS,isomer #13	C[Si](C)(C)N([C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3333.5	Semi standard non polar	33892256
Glutamyltryptophan,3TMS,isomer #13	C[Si](C)(C)N([C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3199.6	Standard non polar	33892256
Glutamyltryptophan,3TMS,isomer #14	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3191.4	Semi standard non polar	33892256
Glutamyltryptophan,3TMS,isomer #14	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3145.4	Standard non polar	33892256
Glutamyltryptophan,3TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3129.1	Semi standard non polar	33892256
Glutamyltryptophan,3TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3066.2	Standard non polar	33892256
Glutamyltryptophan,3TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3170.1	Semi standard non polar	33892256
Glutamyltryptophan,3TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	2972.6	Standard non polar	33892256
Glutamyltryptophan,3TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3315.7	Semi standard non polar	33892256
Glutamyltryptophan,3TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3238.3	Standard non polar	33892256
Glutamyltryptophan,3TMS,isomer #5	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3184.1	Semi standard non polar	33892256
Glutamyltryptophan,3TMS,isomer #5	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3156.6	Standard non polar	33892256
Glutamyltryptophan,3TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3214.8	Semi standard non polar	33892256
Glutamyltryptophan,3TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3090.3	Standard non polar	33892256
Glutamyltryptophan,3TMS,isomer #7	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3121.6	Semi standard non polar	33892256
Glutamyltryptophan,3TMS,isomer #7	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3061.7	Standard non polar	33892256
Glutamyltryptophan,3TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3276.9	Semi standard non polar	33892256
Glutamyltryptophan,3TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3175.7	Standard non polar	33892256
Glutamyltryptophan,3TMS,isomer #9	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3170.5	Semi standard non polar	33892256
Glutamyltryptophan,3TMS,isomer #9	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3122.1	Standard non polar	33892256
Glutamyltryptophan,4TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3284.0	Semi standard non polar	33892256
Glutamyltryptophan,4TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3211.7	Standard non polar	33892256
Glutamyltryptophan,4TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3179.5	Semi standard non polar	33892256
Glutamyltryptophan,4TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3122.2	Standard non polar	33892256
Glutamyltryptophan,4TMS,isomer #11	C[Si](C)(C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3337.4	Semi standard non polar	33892256
Glutamyltryptophan,4TMS,isomer #11	C[Si](C)(C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3253.1	Standard non polar	33892256
Glutamyltryptophan,4TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3186.1	Semi standard non polar	33892256
Glutamyltryptophan,4TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3142.9	Standard non polar	33892256
Glutamyltryptophan,4TMS,isomer #3	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3191.3	Semi standard non polar	33892256
Glutamyltryptophan,4TMS,isomer #3	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3069.4	Standard non polar	33892256
Glutamyltryptophan,4TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3108.0	Semi standard non polar	33892256
Glutamyltryptophan,4TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3048.8	Standard non polar	33892256
Glutamyltryptophan,4TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3292.6	Semi standard non polar	33892256
Glutamyltryptophan,4TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3263.8	Standard non polar	33892256
Glutamyltryptophan,4TMS,isomer #6	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3321.0	Semi standard non polar	33892256
Glutamyltryptophan,4TMS,isomer #6	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3209.7	Standard non polar	33892256
Glutamyltryptophan,4TMS,isomer #7	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3176.2	Semi standard non polar	33892256
Glutamyltryptophan,4TMS,isomer #7	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3146.8	Standard non polar	33892256
Glutamyltryptophan,4TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3295.6	Semi standard non polar	33892256
Glutamyltryptophan,4TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3183.2	Standard non polar	33892256
Glutamyltryptophan,4TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3301.6	Semi standard non polar	33892256
Glutamyltryptophan,4TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3234.4	Standard non polar	33892256
Glutamyltryptophan,5TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3326.0	Semi standard non polar	33892256
Glutamyltryptophan,5TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3248.1	Standard non polar	33892256
Glutamyltryptophan,5TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3303.9	Semi standard non polar	33892256
Glutamyltryptophan,5TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3187.8	Standard non polar	33892256
Glutamyltryptophan,5TMS,isomer #3	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3181.0	Semi standard non polar	33892256
Glutamyltryptophan,5TMS,isomer #3	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3129.3	Standard non polar	33892256
Glutamyltryptophan,5TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3326.7	Semi standard non polar	33892256
Glutamyltryptophan,5TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3251.3	Standard non polar	33892256
Glutamyltryptophan,5TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3338.2	Semi standard non polar	33892256
Glutamyltryptophan,5TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3231.7	Standard non polar	33892256
Glutamyltryptophan,6TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3354.7	Semi standard non polar	33892256
Glutamyltryptophan,6TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3238.6	Standard non polar	33892256
Glutamyltryptophan,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O	3536.2	Semi standard non polar	33892256
Glutamyltryptophan,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H](N)CCC(=O)O	3527.3	Semi standard non polar	33892256
Glutamyltryptophan,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O	3522.9	Semi standard non polar	33892256
Glutamyltryptophan,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCC(=O)O)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O	3526.8	Semi standard non polar	33892256
Glutamyltryptophan,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N1C=C(C[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)O)C2=CC=CC=C21	3504.8	Semi standard non polar	33892256
Glutamyltryptophan,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	3754.6	Semi standard non polar	33892256
Glutamyltryptophan,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	3735.2	Semi standard non polar	33892256
Glutamyltryptophan,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCC(=O)O)[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	3706.9	Semi standard non polar	33892256
Glutamyltryptophan,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O	3753.7	Semi standard non polar	33892256
Glutamyltryptophan,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3734.0	Semi standard non polar	33892256
Glutamyltryptophan,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	3720.1	Semi standard non polar	33892256
Glutamyltryptophan,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	3741.5	Semi standard non polar	33892256
Glutamyltryptophan,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H](N)CCC(=O)O	3705.3	Semi standard non polar	33892256
Glutamyltryptophan,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C(C)(C)C	3719.9	Semi standard non polar	33892256
Glutamyltryptophan,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N([C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3865.4	Semi standard non polar	33892256
Glutamyltryptophan,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3733.1	Semi standard non polar	33892256
Glutamyltryptophan,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	3920.7	Semi standard non polar	33892256
Glutamyltryptophan,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	3668.4	Standard non polar	33892256
Glutamyltryptophan,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	3874.1	Semi standard non polar	33892256
Glutamyltryptophan,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	3599.8	Standard non polar	33892256
Glutamyltryptophan,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C(C)(C)C	3840.1	Semi standard non polar	33892256
Glutamyltryptophan,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C(C)(C)C	3562.7	Standard non polar	33892256
Glutamyltryptophan,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O	4054.8	Semi standard non polar	33892256
Glutamyltryptophan,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O	3746.0	Standard non polar	33892256
Glutamyltryptophan,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N([C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	4083.1	Semi standard non polar	33892256
Glutamyltryptophan,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N([C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3703.1	Standard non polar	33892256
Glutamyltryptophan,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3905.6	Semi standard non polar	33892256
Glutamyltryptophan,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3643.0	Standard non polar	33892256
Glutamyltryptophan,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3917.1	Semi standard non polar	33892256
Glutamyltryptophan,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3621.8	Standard non polar	33892256
Glutamyltryptophan,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	3838.6	Semi standard non polar	33892256
Glutamyltryptophan,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	3522.2	Standard non polar	33892256
Glutamyltryptophan,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4106.3	Semi standard non polar	33892256
Glutamyltryptophan,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3772.5	Standard non polar	33892256
Glutamyltryptophan,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3941.7	Semi standard non polar	33892256
Glutamyltryptophan,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3693.5	Standard non polar	33892256
Glutamyltryptophan,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	3882.7	Semi standard non polar	33892256
Glutamyltryptophan,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	3625.0	Standard non polar	33892256
Glutamyltryptophan,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3858.2	Semi standard non polar	33892256
Glutamyltryptophan,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3570.5	Standard non polar	33892256
Glutamyltryptophan,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4074.2	Semi standard non polar	33892256
Glutamyltryptophan,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3726.3	Standard non polar	33892256
Glutamyltryptophan,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3931.6	Semi standard non polar	33892256
Glutamyltryptophan,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3675.0	Standard non polar	33892256
Glutamyltryptophan,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=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	4259.4	Semi standard non polar	33892256
Glutamyltryptophan,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=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	3886.5	Standard non polar	33892256
Glutamyltryptophan,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4012.0	Semi standard non polar	33892256
Glutamyltryptophan,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3763.3	Standard non polar	33892256
Glutamyltryptophan,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	4224.8	Semi standard non polar	33892256
Glutamyltryptophan,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	3847.7	Standard non polar	33892256
Glutamyltryptophan,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4086.1	Semi standard non polar	33892256
Glutamyltryptophan,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3831.4	Standard non polar	33892256
Glutamyltryptophan,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	3969.3	Semi standard non polar	33892256
Glutamyltryptophan,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	3735.3	Standard non polar	33892256
Glutamyltryptophan,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3973.4	Semi standard non polar	33892256
Glutamyltryptophan,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3701.2	Standard non polar	33892256
Glutamyltryptophan,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=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	4248.8	Semi standard non polar	33892256
Glutamyltryptophan,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=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	3916.9	Standard non polar	33892256
Glutamyltryptophan,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4227.5	Semi standard non polar	33892256
Glutamyltryptophan,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3831.9	Standard non polar	33892256
Glutamyltryptophan,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	4017.6	Semi standard non polar	33892256
Glutamyltryptophan,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3770.8	Standard non polar	33892256
Glutamyltryptophan,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4202.6	Semi standard non polar	33892256
Glutamyltryptophan,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3806.7	Standard non polar	33892256
Glutamyltryptophan,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@H](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	4246.1	Semi standard non polar	33892256
Glutamyltryptophan,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@H](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	3898.0	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Glutamyltryptophan GC-MS (Non-derivatized) - 70eV, Positive	splash10-0k9x-9740000000-890ec1661e76a8511c69	2017-09-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutamyltryptophan GC-MS (3 TMS) - 70eV, Positive	splash10-001i-5603950000-2672a79cdac72505e866	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutamyltryptophan 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 - Glutamyltryptophan 10V, Negative-QTOF	splash10-001i-0149000000-893a0bec966cfacdfeb6	2017-09-14	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamyltryptophan 20V, Negative-QTOF	splash10-0gx9-1794000000-9555ad44530c570861fd	2017-09-14	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamyltryptophan 40V, Negative-QTOF	splash10-0ldi-8940000000-f108096aed88532c6fb0	2017-09-14	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamyltryptophan 10V, Positive-QTOF	splash10-0gc0-1479000000-5d81dd7a46786c547807	2017-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamyltryptophan 20V, Positive-QTOF	splash10-0zg0-3961000000-b5e369ea4e2f59f3c5dc	2017-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamyltryptophan 40V, Positive-QTOF	splash10-053r-7900000000-25dc629d07f36eb5a571	2017-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamyltryptophan 10V, Positive-QTOF	splash10-05o9-0559000000-1d3852f06a6d5d6920d4	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamyltryptophan 20V, Positive-QTOF	splash10-052r-3940000000-400e244707fbd0b075ad	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamyltryptophan 40V, Positive-QTOF	splash10-0a4i-9300000000-e49d14cbd72adae3770b	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamyltryptophan 10V, Negative-QTOF	splash10-001i-0119000000-35e3333be20fa810661a	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamyltryptophan 20V, Negative-QTOF	splash10-0jba-1793000000-28308682cb5de6fe5501	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamyltryptophan 40V, Negative-QTOF	splash10-014i-2910000000-15beab74d09e559a74cb	2021-10-11	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

Feces

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Colorectal Cancer	27015276	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Colorectal Cancer	27275383	details

Associated Disorders and Diseases

Disease References

Colorectal cancer

Sinha R, Ahn J, Sampson JN, Shi J, Yu G, Xiong X, Hayes RB, Goedert JJ: Fecal Microbiota, Fecal Metabolome, and Colorectal Cancer Interrelations. PLoS One. 2016 Mar 25;11(3):e0152126. doi: 10.1371/journal.pone.0152126. eCollection 2016. [PubMed:27015276 ]
Brown DG, Rao S, Weir TL, O'Malia J, Bazan M, Brown RJ, Ryan EP: Metabolomics and metabolic pathway networks from human colorectal cancers, adjacent mucosa, and stool. Cancer Metab. 2016 Jun 6;4:11. doi: 10.1186/s40170-016-0151-y. eCollection 2016. [PubMed:27275383 ]

Associated OMIM IDs

114500 (Colorectal cancer)

External Links

DrugBank ID

DB05779

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB111872

KNApSAcK ID

Not Available

Chemspider ID

90450

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

100094

PDB ID

Not Available

ChEBI ID

73512

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

Belokrylov GA, Popova OYa, Sorochinskaya EI: Immuno-, phagocytosis-modulating and antitoxic properties of dipeptides are defined by the activity of their constituent amino acids. Int J Immunopharmacol. 1999 Dec;21(12):879-83. [PubMed:10606007 ]
Belokrylov GA, Derevnina OY, Molchanova IV, Sorochinskaya EI: Immuno-, phagocytosis-modulating, and antitoxic properties of amino acids and peptide preparations. Drug Dev Ind Pharm. 1998 Feb;24(2):115-27. [PubMed:15605441 ]
Deigin VI, Semenets TN, Zamulaeva IA, Maliutina YV, Selivanova EI, Saenko AS, Semina OV: The effects of the EW dipeptide optical and chemical isomers on the CFU-S population in intact and irradiated mice. Int Immunopharmacol. 2007 Mar;7(3):375-82. Epub 2006 Dec 20. [PubMed:17276896 ]
Sinha R, Ahn J, Sampson JN, Shi J, Yu G, Xiong X, Hayes RB, Goedert JJ: Fecal Microbiota, Fecal Metabolome, and Colorectal Cancer Interrelations. PLoS One. 2016 Mar 25;11(3):e0152126. doi: 10.1371/journal.pone.0152126. eCollection 2016. [PubMed:27015276 ]
Brown DG, Rao S, Weir TL, O'Malia J, Bazan M, Brown RJ, Ryan EP: Metabolomics and metabolic pathway networks from human colorectal cancers, adjacent mucosa, and stool. Cancer Metab. 2016 Jun 6;4:11. doi: 10.1186/s40170-016-0151-y. eCollection 2016. [PubMed:27275383 ]

Showing metabocard for Glutamyltryptophan (HMDB0028830)

MOL for HMDB0028830 (Glutamyltryptophan)

3D MOL for HMDB0028830 (Glutamyltryptophan)

3D SDF for HMDB0028830 (Glutamyltryptophan)

3D-SDF for HMDB0028830 (Glutamyltryptophan)

PDB for HMDB0028830 (Glutamyltryptophan)

3D PDB for HMDB0028830 (Glutamyltryptophan)

SMILES for HMDB0028830 (Glutamyltryptophan)

INCHI for HMDB0028830 (Glutamyltryptophan)

Structure for HMDB0028830 (Glutamyltryptophan)

3D Structure for HMDB0028830 (Glutamyltryptophan)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra