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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-06 21:02:37 UTC

Update Date

2021-09-14 15:36:53 UTC

HMDB ID

HMDB0028817

Secondary Accession Numbers

HMDB28817

Metabolite Identification

Common Name

Glutamylglutamine

Description

Glutamylglutamine is a dipeptide composed of glutamate and glutamine, 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. Glutamylglutamine 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.

Structure

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

HMDB0028817
     RDKit          3D
Glutamylglutamine
 36 35  0  0  0  0  0  0  0  0999 V2000
   -3.8977    2.1717   -0.9710 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7037    0.7859   -0.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6068   -0.0402   -1.0134 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4314    0.2951   -0.1821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4721   -1.2237   -0.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1639   -1.7270    0.5497 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0410   -1.4069   -0.2894 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9654   -0.5097    0.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8682    0.0122    1.2866 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1432   -0.1457   -0.6777 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1674   -0.8074   -1.9478 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2477    1.3236   -0.9284 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3701    2.1895    0.2683 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5536    1.9360    1.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6697    2.6302    2.1582 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5400    1.0039    0.8573 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2126   -3.1639    0.8054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3446   -3.9160    0.3089 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2006   -3.7483    1.5925 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9572    2.8464   -0.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9840    2.5366   -1.9398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5770    0.5772   -0.8164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2837    0.7909    0.7958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7591   -1.7050   -0.9562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2595   -1.4333    0.7281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0269   -1.1818    1.5179 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0018   -1.8668   -1.2394 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0459   -0.4712   -0.1221 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4964   -0.4866   -2.6362 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4498   -1.7772   -1.9496 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3867    1.6475   -1.5427 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1688    1.4804   -1.5553 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4297    2.2400    0.8606 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5011    3.2433   -0.1220 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5194    1.1813    0.8720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6035   -3.2814    2.3981 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  1  0
 14 15  2  0
 14 16  1  0
  6 17  1  0
 17 18  2  0
 17 19  1  0
  1 20  1  0
  1 21  1  0
  4 22  1  0
  4 23  1  0
  5 24  1  0
  5 25  1  0
  6 26  1  1
  7 27  1  0
 10 28  1  1
 11 29  1  0
 11 30  1  0
 12 31  1  0
 12 32  1  0
 13 33  1  0
 13 34  1  0
 16 35  1  0
 19 36  1  0
M  END


  Mrv1652304062013392D          

 19 18  0  0  0  0            999 V2000
 2500.7113 2501.0256    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 2500.7113 2500.2006    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2501.4340 2499.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2502.1464 2500.2128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2501.4340 2498.9763    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 2500.7196 2498.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2500.0051 2498.9763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2499.2907 2498.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2498.5762 2498.9763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2499.2907 2497.7378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2502.1464 2498.5628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2499.9969 2501.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2499.2824 2501.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2498.5680 2501.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2497.8535 2501.0256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2498.5680 2502.2621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2501.4258 2501.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2502.1402 2501.0256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2501.4258 2502.2621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1 12  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  5  3  1  1  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0028817

> <DATABASE_NAME>
hmdb

> <SMILES>
N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C10H17N3O6/c11-5(1-4-8(15)16)9(17)13-6(10(18)19)2-3-7(12)14/h5-6H,1-4,11H2,(H2,12,14)(H,13,17)(H,15,16)(H,18,19)/t5-,6-/m0/s1

> <INCHI_KEY>
MGHKSHCBDXNTHX-WDSKDSINSA-N

> <FORMULA>
C10H17N3O6

> <MOLECULAR_WEIGHT>
275.261

> <EXACT_MASS>
275.111735279

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
36

> <JCHEM_AVERAGE_POLARIZABILITY>
25.960758545819722

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carbamoylbutanoic acid

> <ALOGPS_LOGP>
-3.56

> <JCHEM_LOGP>
-5.18210127806697

> <ALOGPS_LOGS>
-1.64

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
4.074518553318663

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.2354754061795705

> <JCHEM_PKA_STRONGEST_BASIC>
8.449765562646165

> <JCHEM_POLAR_SURFACE_AREA>
172.80999999999997

> <JCHEM_REFRACTIVITY>
61.19770000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.36e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carbamoylbutanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0028817
     RDKit          3D
Glutamylglutamine
 36 35  0  0  0  0  0  0  0  0999 V2000
   -3.8977    2.1717   -0.9710 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7037    0.7859   -0.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6068   -0.0402   -1.0134 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4314    0.2951   -0.1821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4721   -1.2237   -0.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1639   -1.7270    0.5497 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0410   -1.4069   -0.2894 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9654   -0.5097    0.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8682    0.0122    1.2866 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1432   -0.1457   -0.6777 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1674   -0.8074   -1.9478 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2477    1.3236   -0.9284 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3701    2.1895    0.2683 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5536    1.9360    1.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6697    2.6302    2.1582 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5400    1.0039    0.8573 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2126   -3.1639    0.8054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3446   -3.9160    0.3089 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2006   -3.7483    1.5925 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9572    2.8464   -0.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9840    2.5366   -1.9398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5770    0.5772   -0.8164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2837    0.7909    0.7958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7591   -1.7050   -0.9562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2595   -1.4333    0.7281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0269   -1.1818    1.5179 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0018   -1.8668   -1.2394 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0459   -0.4712   -0.1221 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4964   -0.4866   -2.6362 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4498   -1.7772   -1.9496 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3867    1.6475   -1.5427 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1688    1.4804   -1.5553 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4297    2.2400    0.8606 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5011    3.2433   -0.1220 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5194    1.1813    0.8720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6035   -3.2814    2.3981 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  1  0
 14 15  2  0
 14 16  1  0
  6 17  1  0
 17 18  2  0
 17 19  1  0
  1 20  1  0
  1 21  1  0
  4 22  1  0
  4 23  1  0
  5 24  1  0
  5 25  1  0
  6 26  1  1
  7 27  1  0
 10 28  1  1
 11 29  1  0
 11 30  1  0
 12 31  1  0
 12 32  1  0
 13 33  1  0
 13 34  1  0
 16 35  1  0
 19 36  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    4667.9944668.581   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0    4667.9944667.041   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0    4669.3434666.296   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0    4670.6734667.064   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0    4669.3434664.756   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    4668.0104663.984   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    4666.6764664.756   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    4665.3434663.984   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0    4664.0094664.756   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0    4665.3434662.444   0.000  0.00  0.00           O+0
HETATM   11  N   UNK     0    4670.6734663.984   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0    4666.6614669.349   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    4665.3274668.581   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    4663.9944669.349   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0    4662.6604668.581   0.000  0.00  0.00           N+0
HETATM   16  O   UNK     0    4663.9944670.889   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0    4669.3284669.349   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0    4670.6624668.581   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0    4669.3284670.889   0.000  0.00  0.00           O+0
CONECT    1    2   12   17                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   11                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    5                                                            
CONECT   12    1   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14                                                            
CONECT   17    1   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17                                                            
MASTER        0    0    0    0    0    0    0    0   19    0   36    0
END

COMPND    HMDB0028817
HETATM    1  N1  UNL     1      -3.898   2.172  -0.971  1.00  0.00           N  
HETATM    2  C1  UNL     1      -3.704   0.786  -0.743  1.00  0.00           C  
HETATM    3  O1  UNL     1      -4.607  -0.040  -1.013  1.00  0.00           O  
HETATM    4  C2  UNL     1      -2.431   0.295  -0.182  1.00  0.00           C  
HETATM    5  C3  UNL     1      -2.472  -1.224  -0.025  1.00  0.00           C  
HETATM    6  C4  UNL     1      -1.164  -1.727   0.550  1.00  0.00           C  
HETATM    7  N2  UNL     1      -0.041  -1.407  -0.289  1.00  0.00           N  
HETATM    8  C5  UNL     1       0.965  -0.510   0.146  1.00  0.00           C  
HETATM    9  O2  UNL     1       0.868   0.012   1.287  1.00  0.00           O  
HETATM   10  C6  UNL     1       2.143  -0.146  -0.678  1.00  0.00           C  
HETATM   11  N3  UNL     1       2.167  -0.807  -1.948  1.00  0.00           N  
HETATM   12  C7  UNL     1       2.248   1.324  -0.928  1.00  0.00           C  
HETATM   13  C8  UNL     1       2.370   2.190   0.268  1.00  0.00           C  
HETATM   14  C9  UNL     1       3.554   1.936   1.115  1.00  0.00           C  
HETATM   15  O3  UNL     1       3.670   2.630   2.158  1.00  0.00           O  
HETATM   16  O4  UNL     1       4.540   1.004   0.857  1.00  0.00           O  
HETATM   17  C10 UNL     1      -1.213  -3.164   0.805  1.00  0.00           C  
HETATM   18  O5  UNL     1      -0.345  -3.916   0.309  1.00  0.00           O  
HETATM   19  O6  UNL     1      -2.201  -3.748   1.593  1.00  0.00           O  
HETATM   20  H1  UNL     1      -3.957   2.846  -0.179  1.00  0.00           H  
HETATM   21  H2  UNL     1      -3.984   2.537  -1.940  1.00  0.00           H  
HETATM   22  H3  UNL     1      -1.577   0.577  -0.816  1.00  0.00           H  
HETATM   23  H4  UNL     1      -2.284   0.791   0.796  1.00  0.00           H  
HETATM   24  H5  UNL     1      -2.759  -1.705  -0.956  1.00  0.00           H  
HETATM   25  H6  UNL     1      -3.259  -1.433   0.728  1.00  0.00           H  
HETATM   26  H7  UNL     1      -1.027  -1.182   1.518  1.00  0.00           H  
HETATM   27  H8  UNL     1       0.002  -1.867  -1.239  1.00  0.00           H  
HETATM   28  H9  UNL     1       3.046  -0.471  -0.122  1.00  0.00           H  
HETATM   29  H10 UNL     1       1.496  -0.487  -2.636  1.00  0.00           H  
HETATM   30  H11 UNL     1       2.450  -1.777  -1.950  1.00  0.00           H  
HETATM   31  H12 UNL     1       1.387   1.647  -1.543  1.00  0.00           H  
HETATM   32  H13 UNL     1       3.169   1.480  -1.555  1.00  0.00           H  
HETATM   33  H14 UNL     1       1.430   2.240   0.861  1.00  0.00           H  
HETATM   34  H15 UNL     1       2.501   3.243  -0.122  1.00  0.00           H  
HETATM   35  H16 UNL     1       5.519   1.181   0.872  1.00  0.00           H  
HETATM   36  H17 UNL     1      -2.603  -3.281   2.398  1.00  0.00           H  
CONECT    1    2   20   21
CONECT    2    3    3    4
CONECT    4    5   22   23
CONECT    5    6   24   25
CONECT    6    7   17   26
CONECT    7    8   27
CONECT    8    9    9   10
CONECT   10   11   12   28
CONECT   11   29   30
CONECT   12   13   31   32
CONECT   13   14   33   34
CONECT   14   15   15   16
CONECT   16   35
CONECT   17   18   18   19
CONECT   19   36
END

HMDB0028817
     RDKit          3D
Glutamylglutamine
 36 35  0  0  0  0  0  0  0  0999 V2000
   -3.8977    2.1717   -0.9710 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7037    0.7859   -0.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6068   -0.0402   -1.0134 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4314    0.2951   -0.1821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4721   -1.2237   -0.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1639   -1.7270    0.5497 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0410   -1.4069   -0.2894 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9654   -0.5097    0.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8682    0.0122    1.2866 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1432   -0.1457   -0.6777 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1674   -0.8074   -1.9478 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2477    1.3236   -0.9284 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3701    2.1895    0.2683 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5536    1.9360    1.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6697    2.6302    2.1582 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5400    1.0039    0.8573 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2126   -3.1639    0.8054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3446   -3.9160    0.3089 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2006   -3.7483    1.5925 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9572    2.8464   -0.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9840    2.5366   -1.9398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5770    0.5772   -0.8164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2837    0.7909    0.7958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7591   -1.7050   -0.9562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2595   -1.4333    0.7281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0269   -1.1818    1.5179 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0018   -1.8668   -1.2394 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0459   -0.4712   -0.1221 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4964   -0.4866   -2.6362 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4498   -1.7772   -1.9496 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3867    1.6475   -1.5427 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1688    1.4804   -1.5553 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4297    2.2400    0.8606 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5011    3.2433   -0.1220 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5194    1.1813    0.8720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6035   -3.2814    2.3981 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  1  0
 14 15  2  0
 14 16  1  0
  6 17  1  0
 17 18  2  0
 17 19  1  0
  1 20  1  0
  1 21  1  0
  4 22  1  0
  4 23  1  0
  5 24  1  0
  5 25  1  0
  6 26  1  1
  7 27  1  0
 10 28  1  1
 11 29  1  0
 11 30  1  0
 12 31  1  0
 12 32  1  0
 13 33  1  0
 13 34  1  0
 16 35  1  0
 19 36  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
(2S)-2-[(2S)-2-Amino-4-carboxybutanamido]-4-carbamoylbutanoic acid	ChEBI
(2S)-5-Amino-2-{[(2S)-2-amino-4-carboxybutanoyl]amino}-5-oxopentanoic acid	ChEBI
alpha-Glu-GLN	ChEBI
alpha-Glutamylglutamine	ChEBI
alpha-L-Glu-L-GLN	ChEBI
alpha-L-Glutamyl-L-glutamine	ChEBI
E-Q	ChEBI
EQ	ChEBI
EQ dipeptide	ChEBI
Glutamate glutamine dipeptide	ChEBI
Glutamic acid glutamine dipeptide	ChEBI
L-Glutamyl-L-glutamine	ChEBI
L-Glutamylglutamine	ChEBI
N(2)-alpha-L-Glutamyl-L-glutamine	ChEBI
N(2)-L-Glutamyl-L-glutamine	ChEBI
(2S)-2-[(2S)-2-Amino-4-carboxybutanamido]-4-carbamoylbutanoate	Generator
(2S)-5-Amino-2-{[(2S)-2-amino-4-carboxybutanoyl]amino}-5-oxopentanoate	Generator
a-Glu-GLN	Generator
Α-glu-GLN	Generator
a-Glutamylglutamine	Generator
Α-glutamylglutamine	Generator
a-L-Glu-L-GLN	Generator
Α-L-glu-L-GLN	Generator
a-L-Glutamyl-L-glutamine	Generator
Α-L-glutamyl-L-glutamine	Generator
N(2)-a-L-Glutamyl-L-glutamine	Generator
N(2)-Α-L-glutamyl-L-glutamine	Generator
e-Q Dipeptide	HMDB
Glu-GLN	HMDB
Glutamate-glutamine dipeptide	HMDB
L-Α-glutamyl-L-glutamine	HMDB
N2-Α-glutamylglutamine	HMDB
N2-Α-L-glutamyl-L-glutamine	HMDB
N2-L-Α-glutamylglutamine	HMDB
N2-L-Α-glutamyl-L-glutamine	HMDB
L-alpha-Glutamyl-L-glutamine	HMDB
N2-alpha-Glutamylglutamine	HMDB
N2-alpha-L-Glutamyl-L-glutamine	HMDB
N2-L-alpha-Glutamylglutamine	HMDB
N2-L-alpha-Glutamyl-L-glutamine	HMDB
L-Glu-L-GLN	HMDB
N2-Glutamylglutamine	HMDB
N2-L-Glutamyl-L-glutamine	HMDB
Glutamyl-glutamine	HMDB
Glutamic acid-glutamine dipeptide	HMDB
(2S)-2-{[(2S)-2-amino-4-carboxy-1-hydroxybutylidene]amino}-4-(C-hydroxycarbonimidoyl)butanoate	HMDB
Glutamylglutamine	HMDB, ChEBI

Chemical Formula

C₁₀H₁₇N₃O₆

Average Molecular Weight

275.261

Monoisotopic Molecular Weight

275.111735279

IUPAC Name

(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carbamoylbutanoic acid

Traditional Name

(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carbamoylbutanoic acid

CAS Registry Number

26848-14-6

SMILES

N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O

InChI Identifier

InChI=1S/C10H17N3O6/c11-5(1-4-8(15)16)9(17)13-6(10(18)19)2-3-7(12)14/h5-6H,1-4,11H2,(H2,12,14)(H,13,17)(H,15,16)(H,18,19)/t5-,6-/m0/s1

InChI Key

MGHKSHCBDXNTHX-WDSKDSINSA-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
Glutamic acid or derivatives
Glutamine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
N-acyl-l-alpha-amino acid
N-acyl-l-glutamine
Alpha-amino acid amide
Alpha-amino acid or derivatives
Amino fatty acid
N-acyl-amine
Fatty acyl
Fatty acid
Dicarboxylic acid or derivatives
Fatty amide
Amino acid
Secondary carboxylic acid amide
Primary carboxylic acid amide
Carboxamide group
Amino acid or derivatives
Carboxylic acid
Organonitrogen compound
Organooxygen compound
Primary amine
Carbonyl group
Hydrocarbon derivative
Organic oxide
Amine
Organic oxygen compound
Organic nitrogen compound
Primary aliphatic amine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Not Available

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	-5.17	Extrapolated

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	13.4 g/L	ALOGPS
logP	-3.6	ALOGPS
logP	-5.2	ChemAxon
logS	-1.6	ALOGPS
pKa (Strongest Acidic)	3.24	ChemAxon
pKa (Strongest Basic)	8.45	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	172.81 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	61.2 m³·mol⁻¹	ChemAxon
Polarizability	25.96 Å³	ChemAxon
Number of Rings	0	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+H]+	163.927	30932474
DeepCCS	[M-H]-	161.569	30932474
DeepCCS	[M-2H]-	194.455	30932474
DeepCCS	[M+Na]+	170.02	30932474
AllCCS	[M+H]+	158.9	32859911
AllCCS	[M+H-H2O]+	156.0	32859911
AllCCS	[M+NH4]+	161.7	32859911
AllCCS	[M+Na]+	162.5	32859911
AllCCS	[M-H]-	160.2	32859911
AllCCS	[M+Na-2H]-	160.4	32859911
AllCCS	[M+HCOO]-	160.8	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Glutamylglutamine	N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O	3495.3	Standard polar	33892256
Glutamylglutamine	N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O	2266.1	Standard non polar	33892256
Glutamylglutamine	N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O	2866.0	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Glutamylglutamine,1TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O	2548.1	Semi standard non polar	33892256
Glutamylglutamine,1TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(=O)O	2540.9	Semi standard non polar	33892256
Glutamylglutamine,1TMS,isomer #3	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)O	2605.4	Semi standard non polar	33892256
Glutamylglutamine,1TMS,isomer #4	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)O	2617.9	Semi standard non polar	33892256
Glutamylglutamine,1TMS,isomer #5	C[Si](C)(C)N(C(=O)[C@@H](N)CCC(=O)O)[C@@H](CCC(N)=O)C(=O)O	2552.1	Semi standard non polar	33892256
Glutamylglutamine,2TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C	2574.9	Semi standard non polar	33892256
Glutamylglutamine,2TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	2605.5	Semi standard non polar	33892256
Glutamylglutamine,2TMS,isomer #11	C[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)O)[Si](C)(C)C	2760.2	Semi standard non polar	33892256
Glutamylglutamine,2TMS,isomer #12	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C	2614.4	Semi standard non polar	33892256
Glutamylglutamine,2TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O	2622.9	Semi standard non polar	33892256
Glutamylglutamine,2TMS,isomer #3	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C)C(=O)O	2632.8	Semi standard non polar	33892256
Glutamylglutamine,2TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	2541.9	Semi standard non polar	33892256
Glutamylglutamine,2TMS,isomer #5	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)O[Si](C)(C)C	2621.3	Semi standard non polar	33892256
Glutamylglutamine,2TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C	2623.4	Semi standard non polar	33892256
Glutamylglutamine,2TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C	2547.2	Semi standard non polar	33892256
Glutamylglutamine,2TMS,isomer #8	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O)N[Si](C)(C)C)C(=O)O	2683.1	Semi standard non polar	33892256
Glutamylglutamine,2TMS,isomer #9	C[Si](C)(C)N([C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	2743.8	Semi standard non polar	33892256
Glutamylglutamine,3TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C	2644.4	Semi standard non polar	33892256
Glutamylglutamine,3TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C	2524.8	Standard non polar	33892256
Glutamylglutamine,3TMS,isomer #10	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H](N)CCC(=O)O	2737.9	Semi standard non polar	33892256
Glutamylglutamine,3TMS,isomer #10	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H](N)CCC(=O)O	2587.4	Standard non polar	33892256
Glutamylglutamine,3TMS,isomer #11	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C	2600.5	Semi standard non polar	33892256
Glutamylglutamine,3TMS,isomer #11	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C	2581.2	Standard non polar	33892256
Glutamylglutamine,3TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2759.5	Semi standard non polar	33892256
Glutamylglutamine,3TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2603.4	Standard non polar	33892256
Glutamylglutamine,3TMS,isomer #13	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2603.5	Semi standard non polar	33892256
Glutamylglutamine,3TMS,isomer #13	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2532.7	Standard non polar	33892256
Glutamylglutamine,3TMS,isomer #14	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2799.7	Semi standard non polar	33892256
Glutamylglutamine,3TMS,isomer #14	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2683.8	Standard non polar	33892256
Glutamylglutamine,3TMS,isomer #15	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O)N[Si](C)(C)C)[Si](C)(C)C	2663.3	Semi standard non polar	33892256
Glutamylglutamine,3TMS,isomer #15	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O)N[Si](C)(C)C)[Si](C)(C)C	2692.4	Standard non polar	33892256
Glutamylglutamine,3TMS,isomer #16	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2811.8	Semi standard non polar	33892256
Glutamylglutamine,3TMS,isomer #16	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2731.2	Standard non polar	33892256
Glutamylglutamine,3TMS,isomer #17	C[Si](C)(C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(N)=O)C(=O)O	2718.1	Semi standard non polar	33892256
Glutamylglutamine,3TMS,isomer #17	C[Si](C)(C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(N)=O)C(=O)O	2628.3	Standard non polar	33892256
Glutamylglutamine,3TMS,isomer #18	C[Si](C)(C)N(C(=O)[C@@H](N)CCC(=O)O)[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2708.4	Semi standard non polar	33892256
Glutamylglutamine,3TMS,isomer #18	C[Si](C)(C)N(C(=O)[C@@H](N)CCC(=O)O)[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2652.8	Standard non polar	33892256
Glutamylglutamine,3TMS,isomer #2	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2637.2	Semi standard non polar	33892256
Glutamylglutamine,3TMS,isomer #2	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2544.9	Standard non polar	33892256
Glutamylglutamine,3TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2524.2	Semi standard non polar	33892256
Glutamylglutamine,3TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2474.1	Standard non polar	33892256
Glutamylglutamine,3TMS,isomer #4	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2684.0	Semi standard non polar	33892256
Glutamylglutamine,3TMS,isomer #4	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2669.4	Standard non polar	33892256
Glutamylglutamine,3TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2768.9	Semi standard non polar	33892256
Glutamylglutamine,3TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2649.4	Standard non polar	33892256
Glutamylglutamine,3TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	2591.2	Semi standard non polar	33892256
Glutamylglutamine,3TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	2578.1	Standard non polar	33892256
Glutamylglutamine,3TMS,isomer #7	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2734.5	Semi standard non polar	33892256
Glutamylglutamine,3TMS,isomer #7	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2624.8	Standard non polar	33892256
Glutamylglutamine,3TMS,isomer #8	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C)[Si](C)(C)C	2589.3	Semi standard non polar	33892256
Glutamylglutamine,3TMS,isomer #8	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C)[Si](C)(C)C	2626.0	Standard non polar	33892256
Glutamylglutamine,3TMS,isomer #9	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2692.3	Semi standard non polar	33892256
Glutamylglutamine,3TMS,isomer #9	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2635.9	Standard non polar	33892256
Glutamylglutamine,4TMS,isomer #1	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2699.3	Semi standard non polar	33892256
Glutamylglutamine,4TMS,isomer #1	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2663.3	Standard non polar	33892256
Glutamylglutamine,4TMS,isomer #10	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2693.1	Semi standard non polar	33892256
Glutamylglutamine,4TMS,isomer #10	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2697.2	Standard non polar	33892256
Glutamylglutamine,4TMS,isomer #11	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2774.4	Semi standard non polar	33892256
Glutamylglutamine,4TMS,isomer #11	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2703.7	Standard non polar	33892256
Glutamylglutamine,4TMS,isomer #12	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O)N[Si](C)(C)C)[Si](C)(C)C	2655.1	Semi standard non polar	33892256
Glutamylglutamine,4TMS,isomer #12	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O)N[Si](C)(C)C)[Si](C)(C)C	2684.2	Standard non polar	33892256
Glutamylglutamine,4TMS,isomer #13	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2810.8	Semi standard non polar	33892256
Glutamylglutamine,4TMS,isomer #13	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2739.0	Standard non polar	33892256
Glutamylglutamine,4TMS,isomer #14	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C	2697.7	Semi standard non polar	33892256
Glutamylglutamine,4TMS,isomer #14	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C	2667.9	Standard non polar	33892256
Glutamylglutamine,4TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2755.1	Semi standard non polar	33892256
Glutamylglutamine,4TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2645.6	Standard non polar	33892256
Glutamylglutamine,4TMS,isomer #16	C[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2919.0	Semi standard non polar	33892256
Glutamylglutamine,4TMS,isomer #16	C[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2803.2	Standard non polar	33892256
Glutamylglutamine,4TMS,isomer #17	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2750.2	Semi standard non polar	33892256
Glutamylglutamine,4TMS,isomer #17	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2761.7	Standard non polar	33892256
Glutamylglutamine,4TMS,isomer #18	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2767.0	Semi standard non polar	33892256
Glutamylglutamine,4TMS,isomer #18	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2779.9	Standard non polar	33892256
Glutamylglutamine,4TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2762.5	Semi standard non polar	33892256
Glutamylglutamine,4TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2640.3	Standard non polar	33892256
Glutamylglutamine,4TMS,isomer #3	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2576.6	Semi standard non polar	33892256
Glutamylglutamine,4TMS,isomer #3	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2567.9	Standard non polar	33892256
Glutamylglutamine,4TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2723.1	Semi standard non polar	33892256
Glutamylglutamine,4TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2637.3	Standard non polar	33892256
Glutamylglutamine,4TMS,isomer #5	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C)[Si](C)(C)C	2568.2	Semi standard non polar	33892256
Glutamylglutamine,4TMS,isomer #5	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C)[Si](C)(C)C	2609.6	Standard non polar	33892256
Glutamylglutamine,4TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2758.7	Semi standard non polar	33892256
Glutamylglutamine,4TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2729.2	Standard non polar	33892256
Glutamylglutamine,4TMS,isomer #7	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2639.8	Semi standard non polar	33892256
Glutamylglutamine,4TMS,isomer #7	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2710.2	Standard non polar	33892256
Glutamylglutamine,4TMS,isomer #8	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2801.9	Semi standard non polar	33892256
Glutamylglutamine,4TMS,isomer #8	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2765.9	Standard non polar	33892256
Glutamylglutamine,4TMS,isomer #9	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2736.2	Semi standard non polar	33892256
Glutamylglutamine,4TMS,isomer #9	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2682.4	Standard non polar	33892256
Glutamylglutamine,5TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2736.4	Semi standard non polar	33892256
Glutamylglutamine,5TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2732.3	Standard non polar	33892256
Glutamylglutamine,5TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2742.2	Semi standard non polar	33892256
Glutamylglutamine,5TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2760.8	Standard non polar	33892256
Glutamylglutamine,5TMS,isomer #11	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2776.5	Semi standard non polar	33892256
Glutamylglutamine,5TMS,isomer #11	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2777.2	Standard non polar	33892256
Glutamylglutamine,5TMS,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](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2900.4	Semi standard non polar	33892256
Glutamylglutamine,5TMS,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](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2859.5	Standard non polar	33892256
Glutamylglutamine,5TMS,isomer #2	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2603.6	Semi standard non polar	33892256
Glutamylglutamine,5TMS,isomer #2	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2704.6	Standard non polar	33892256
Glutamylglutamine,5TMS,isomer #3	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2767.3	Semi standard non polar	33892256
Glutamylglutamine,5TMS,isomer #3	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2768.7	Standard non polar	33892256
Glutamylglutamine,5TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2754.7	Semi standard non polar	33892256
Glutamylglutamine,5TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2683.9	Standard non polar	33892256
Glutamylglutamine,5TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2680.2	Semi standard non polar	33892256
Glutamylglutamine,5TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2702.0	Standard non polar	33892256
Glutamylglutamine,5TMS,isomer #6	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2913.6	Semi standard non polar	33892256
Glutamylglutamine,5TMS,isomer #6	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2836.0	Standard non polar	33892256
Glutamylglutamine,5TMS,isomer #7	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2737.6	Semi standard non polar	33892256
Glutamylglutamine,5TMS,isomer #7	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2779.8	Standard non polar	33892256
Glutamylglutamine,5TMS,isomer #8	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2766.3	Semi standard non polar	33892256
Glutamylglutamine,5TMS,isomer #8	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2801.2	Standard non polar	33892256
Glutamylglutamine,5TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2917.0	Semi standard non polar	33892256
Glutamylglutamine,5TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2811.6	Standard non polar	33892256
Glutamylglutamine,6TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2887.9	Semi standard non polar	33892256
Glutamylglutamine,6TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2842.4	Standard non polar	33892256
Glutamylglutamine,6TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2725.1	Semi standard non polar	33892256
Glutamylglutamine,6TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2785.4	Standard non polar	33892256
Glutamylglutamine,6TMS,isomer #3	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2761.5	Semi standard non polar	33892256
Glutamylglutamine,6TMS,isomer #3	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2801.6	Standard non polar	33892256
Glutamylglutamine,6TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2912.3	Semi standard non polar	33892256
Glutamylglutamine,6TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2885.3	Standard non polar	33892256
Glutamylglutamine,6TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2917.3	Semi standard non polar	33892256
Glutamylglutamine,6TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2864.9	Standard non polar	33892256
Glutamylglutamine,7TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2946.8	Semi standard non polar	33892256
Glutamylglutamine,7TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2889.5	Standard non polar	33892256
Glutamylglutamine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O	2818.9	Semi standard non polar	33892256
Glutamylglutamine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(=O)O	2803.5	Semi standard non polar	33892256
Glutamylglutamine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)O	2865.1	Semi standard non polar	33892256
Glutamylglutamine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)O	2891.7	Semi standard non polar	33892256
Glutamylglutamine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCC(=O)O)[C@@H](CCC(N)=O)C(=O)O	2821.6	Semi standard non polar	33892256
Glutamylglutamine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3061.0	Semi standard non polar	33892256
Glutamylglutamine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3079.3	Semi standard non polar	33892256
Glutamylglutamine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3217.7	Semi standard non polar	33892256
Glutamylglutamine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C(C)(C)C	3089.6	Semi standard non polar	33892256
Glutamylglutamine,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](CCC(N)=O)C(=O)O	3102.6	Semi standard non polar	33892256
Glutamylglutamine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3130.3	Semi standard non polar	33892256
Glutamylglutamine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3030.6	Semi standard non polar	33892256
Glutamylglutamine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3097.9	Semi standard non polar	33892256
Glutamylglutamine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3085.7	Semi standard non polar	33892256
Glutamylglutamine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C(C)(C)C	3034.1	Semi standard non polar	33892256
Glutamylglutamine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O)N[Si](C)(C)C(C)(C)C)C(=O)O	3171.0	Semi standard non polar	33892256
Glutamylglutamine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N([C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3206.8	Semi standard non polar	33892256
Glutamylglutamine,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](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3298.9	Semi standard non polar	33892256
Glutamylglutamine,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](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3080.2	Standard non polar	33892256
Glutamylglutamine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H](N)CCC(=O)O	3378.9	Semi standard non polar	33892256
Glutamylglutamine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H](N)CCC(=O)O	3101.0	Standard non polar	33892256
Glutamylglutamine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C(C)(C)C	3280.9	Semi standard non polar	33892256
Glutamylglutamine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C(C)(C)C	3067.2	Standard non polar	33892256
Glutamylglutamine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3419.2	Semi standard non polar	33892256
Glutamylglutamine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3101.5	Standard non polar	33892256
Glutamylglutamine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3292.5	Semi standard non polar	33892256
Glutamylglutamine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3049.7	Standard non polar	33892256
Glutamylglutamine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3456.7	Semi standard non polar	33892256
Glutamylglutamine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3173.2	Standard non polar	33892256
Glutamylglutamine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3335.8	Semi standard non polar	33892256
Glutamylglutamine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3111.0	Standard non polar	33892256
Glutamylglutamine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3480.1	Semi standard non polar	33892256
Glutamylglutamine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3177.8	Standard non polar	33892256
Glutamylglutamine,3TBDMS,isomer #17	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](CCC(N)=O)C(=O)O	3387.2	Semi standard non polar	33892256
Glutamylglutamine,3TBDMS,isomer #17	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](CCC(N)=O)C(=O)O	3110.6	Standard non polar	33892256
Glutamylglutamine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCC(=O)O)[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3358.5	Semi standard non polar	33892256
Glutamylglutamine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCC(=O)O)[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3125.7	Standard non polar	33892256
Glutamylglutamine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3319.2	Semi standard non polar	33892256
Glutamylglutamine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3077.4	Standard non polar	33892256
Glutamylglutamine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3234.0	Semi standard non polar	33892256
Glutamylglutamine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3032.9	Standard non polar	33892256
Glutamylglutamine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3355.9	Semi standard non polar	33892256
Glutamylglutamine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3147.7	Standard non polar	33892256
Glutamylglutamine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3450.6	Semi standard non polar	33892256
Glutamylglutamine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3152.4	Standard non polar	33892256
Glutamylglutamine,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](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3302.2	Semi standard non polar	33892256
Glutamylglutamine,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](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3080.8	Standard non polar	33892256
Glutamylglutamine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3420.5	Semi standard non polar	33892256
Glutamylglutamine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3143.2	Standard non polar	33892256
Glutamylglutamine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3302.1	Semi standard non polar	33892256
Glutamylglutamine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3096.7	Standard non polar	33892256
Glutamylglutamine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3333.3	Semi standard non polar	33892256
Glutamylglutamine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3105.2	Standard non polar	33892256
Glutamylglutamine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3541.0	Semi standard non polar	33892256
Glutamylglutamine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3279.5	Standard non polar	33892256
Glutamylglutamine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](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	3582.2	Semi standard non polar	33892256
Glutamylglutamine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](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	3319.5	Standard non polar	33892256
Glutamylglutamine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](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	3627.0	Semi standard non polar	33892256
Glutamylglutamine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](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	3314.7	Standard non polar	33892256
Glutamylglutamine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(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	3517.3	Semi standard non polar	33892256
Glutamylglutamine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(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	3267.2	Standard non polar	33892256
Glutamylglutamine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)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	3673.2	Semi standard non polar	33892256
Glutamylglutamine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)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	3322.5	Standard non polar	33892256
Glutamylglutamine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C(C)(C)C	3561.4	Semi standard non polar	33892256
Glutamylglutamine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C(C)(C)C	3303.3	Standard non polar	33892256
Glutamylglutamine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)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	3625.3	Semi standard non polar	33892256
Glutamylglutamine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)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	3293.8	Standard non polar	33892256
Glutamylglutamine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@H](CCC(=O)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	3757.1	Semi standard non polar	33892256
Glutamylglutamine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@H](CCC(=O)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	3393.4	Standard non polar	33892256
Glutamylglutamine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](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	3615.8	Semi standard non polar	33892256
Glutamylglutamine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](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	3334.1	Standard non polar	33892256
Glutamylglutamine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)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	3653.1	Semi standard non polar	33892256
Glutamylglutamine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)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	3340.6	Standard non polar	33892256
Glutamylglutamine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CCC(N)=O)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	3648.9	Semi standard non polar	33892256
Glutamylglutamine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CCC(N)=O)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	3299.2	Standard non polar	33892256
Glutamylglutamine,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](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3476.8	Semi standard non polar	33892256
Glutamylglutamine,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](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3248.8	Standard non polar	33892256
Glutamylglutamine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](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	3589.4	Semi standard non polar	33892256
Glutamylglutamine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](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	3298.5	Standard non polar	33892256
Glutamylglutamine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3479.5	Semi standard non polar	33892256
Glutamylglutamine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3260.4	Standard non polar	33892256
Glutamylglutamine,4TBDMS,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](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3647.5	Semi standard non polar	33892256
Glutamylglutamine,4TBDMS,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](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3351.7	Standard non polar	33892256
Glutamylglutamine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3530.9	Semi standard non polar	33892256
Glutamylglutamine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3288.5	Standard non polar	33892256
Glutamylglutamine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3713.7	Semi standard non polar	33892256
Glutamylglutamine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3357.2	Standard non polar	33892256
Glutamylglutamine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CCC(N)=O)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	3642.0	Semi standard non polar	33892256
Glutamylglutamine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CCC(N)=O)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	3316.9	Standard non polar	33892256
Glutamylglutamine,5TBDMS,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](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	3816.6	Semi standard non polar	33892256
Glutamylglutamine,5TBDMS,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](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	3488.3	Standard non polar	33892256
Glutamylglutamine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](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)[Si](C)(C)C(C)(C)C	3801.6	Semi standard non polar	33892256
Glutamylglutamine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](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)[Si](C)(C)C(C)(C)C	3494.0	Standard non polar	33892256
Glutamylglutamine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(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)[Si](C)(C)C(C)(C)C	3869.9	Semi standard non polar	33892256
Glutamylglutamine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(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)[Si](C)(C)C(C)(C)C	3500.4	Standard non polar	33892256
Glutamylglutamine,5TBDMS,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](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3936.9	Semi standard non polar	33892256
Glutamylglutamine,5TBDMS,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](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3566.1	Standard non polar	33892256
Glutamylglutamine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3694.4	Semi standard non polar	33892256
Glutamylglutamine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3441.9	Standard non polar	33892256
Glutamylglutamine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)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	3896.4	Semi standard non polar	33892256
Glutamylglutamine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)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	3492.9	Standard non polar	33892256
Glutamylglutamine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3847.4	Semi standard non polar	33892256
Glutamylglutamine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3474.6	Standard non polar	33892256
Glutamylglutamine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](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)[Si](C)(C)C(C)(C)C	3778.4	Semi standard non polar	33892256
Glutamylglutamine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](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)[Si](C)(C)C(C)(C)C	3481.5	Standard non polar	33892256
Glutamylglutamine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3992.8	Semi standard non polar	33892256
Glutamylglutamine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3563.2	Standard non polar	33892256
Glutamylglutamine,5TBDMS,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](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	3818.9	Semi standard non polar	33892256
Glutamylglutamine,5TBDMS,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](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	3506.4	Standard non polar	33892256
Glutamylglutamine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3877.5	Semi standard non polar	33892256
Glutamylglutamine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3515.3	Standard non polar	33892256
Glutamylglutamine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3964.7	Semi standard non polar	33892256
Glutamylglutamine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3539.6	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Glutamylglutamine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutamylglutamine 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 - Glutamylglutamine 10V, Positive-QTOF	splash10-0a4i-0290000000-1e4fb495490657d5804d	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamylglutamine 20V, Positive-QTOF	splash10-0ue9-4970000000-db086b30c57cea45c4b0	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamylglutamine 40V, Positive-QTOF	splash10-0a4i-9200000000-a4d7aac03835b2de96ce	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamylglutamine 10V, Negative-QTOF	splash10-05fr-0190000000-574e0b17983cc28d64a6	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamylglutamine 20V, Negative-QTOF	splash10-0bwd-3790000000-51d06244909db9f95cea	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamylglutamine 40V, Negative-QTOF	splash10-0006-9500000000-80e66f2083aa2c725333	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamylglutamine 10V, Positive-QTOF	splash10-003r-0950000000-d9537b65fcbc0d03dbea	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamylglutamine 20V, Positive-QTOF	splash10-0f89-4920000000-7e91f49f15317137e5ce	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamylglutamine 40V, Positive-QTOF	splash10-0a4i-9300000000-3a563f89655345ab4ba2	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamylglutamine 10V, Negative-QTOF	splash10-00di-0190000000-dd5ebf1b3b26d7525a05	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamylglutamine 20V, Negative-QTOF	splash10-004j-1920000000-0cba88d1d02f7550a883	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamylglutamine 40V, Negative-QTOF	splash10-0f6x-9700000000-b4dbfeeb9d948141c830	2021-10-11	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	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

FDB111862

KNApSAcK ID

Not Available

Chemspider ID

8347091

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10171586

PDB ID

Not Available

ChEBI ID

141435

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

Do KQ, Lauer CJ, Schreiber W, Zollinger M, Gutteck-Amsler U, Cuenod M, Holsboer F: gamma-Glutamylglutamine and taurine concentrations are decreased in the cerebrospinal fluid of drug-naive patients with schizophrenic disorders. J Neurochem. 1995 Dec;65(6):2652-62. [PubMed:7595563 ]
Hammond JW, Potter M, Sim KG, Wilcken B: Reduced glutathione, gamma-glutamylcysteine, cysteine and gamma-glutamylglutamine in gamma-glutamyltransferase deficiency. J Inherit Metab Dis. 1999 May;22(3):235-9. [PubMed:10384376 ]
Sandberg M, Li X, Folestad S, Weber SG, Orwar O: Liquid chromatographic determination of acidic beta-aspartyl and gamma-glutamyl peptides in extracts of rat brain. Anal Biochem. 1994 Feb 15;217(1):48-61. [PubMed:7911284 ]
El Sayed AS, Fujimoto S, Yamada C, Suzuki H: Enzymatic synthesis of gamma-glutamylglutamine, a stable glutamine analogue, by gamma-glutamyltranspeptidase from Escherichia coli K-12. Biotechnol Lett. 2010 Dec;32(12):1877-81. doi: 10.1007/s10529-010-0364-z. Epub 2010 Jul 31. [PubMed:20676917 ]
Do KQ, Trabesinger AH, Kirsten-Kruger M, Lauer CJ, Dydak U, Hell D, Holsboer F, Boesiger P, Cuenod M: Schizophrenia: glutathione deficit in cerebrospinal fluid and prefrontal cortex in vivo. Eur J Neurosci. 2000 Oct;12(10):3721-8. [PubMed:11029642 ]
Yang D, Liu X, Jiang X, Liu Y, Ying W, Wang H, Bai H, Taylor WD, Wang Y, Clamme JP, Co E, Chivukula P, Tsang KY, Jin Y, Yu L: Effect of molecular weight of PGG-paclitaxel conjugates on in vitro and in vivo efficacy. J Control Release. 2012 Jul 10;161(1):124-31. doi: 10.1016/j.jconrel.2012.04.010. Epub 2012 Apr 12. [PubMed:22521595 ]
Jaeken J: Cerebrospinal fluid as a tool in the diagnosis of neurometabolic diseases: amino acid analysis before and after acid hydrolysis. Eur J Pediatr. 1994;153(7 Suppl 1):S86-9. [PubMed:7957393 ]
Li X, Orwar O, Revesjo C, Sandberg M: Gamma-glutamyl peptides and related amino acids in rat hippocampus in vitro: effect of depolarization and gamma-glutamyl transpeptidase inhibition. Neurochem Int. 1996 Aug;29(2):121-8. [PubMed:8837040 ]
Yang D, Van S, Jiang X, Yu L: Novel free paclitaxel-loaded poly(L-gamma-glutamylglutamine)-paclitaxel nanoparticles. Int J Nanomedicine. 2011 Jan 6;6:85-91. doi: 10.2147/IJN.S15839. [PubMed:21289985 ]
Orwar O, Li X, Andine P, Bergstrom CM, Hagberg H, Folestad S, Sandberg M: Increased intra- and extracellular concentrations of gamma-glutamylglutamate and related dipeptides in the ischemic rat striatum: involvement of glutamyl transpeptidase. J Neurochem. 1994 Oct;63(4):1371-6. [PubMed:7931288 ]
Suzuki H, Izuka S, Minami H, Miyakawa N, Ishihara S, Kumagai H: Use of bacterial gamma-glutamyltranspeptidase for enzymatic synthesis of gamma-D-glutamyl compounds. Appl Environ Microbiol. 2003 Nov;69(11):6399-404. [PubMed:14602592 ]

Showing metabocard for Glutamylglutamine (HMDB0028817)

MOL for HMDB0028817 (Glutamylglutamine)

3D MOL for HMDB0028817 (Glutamylglutamine)

3D SDF for HMDB0028817 (Glutamylglutamine)

3D-SDF for HMDB0028817 (Glutamylglutamine)

PDB for HMDB0028817 (Glutamylglutamine)

3D PDB for HMDB0028817 (Glutamylglutamine)

SMILES for HMDB0028817 (Glutamylglutamine)

INCHI for HMDB0028817 (Glutamylglutamine)

Structure for HMDB0028817 (Glutamylglutamine)

3D Structure for HMDB0028817 (Glutamylglutamine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra