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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-06 21:02:30 UTC

Update Date

2021-09-14 15:36:52 UTC

HMDB ID

HMDB0028796

Secondary Accession Numbers

HMDB28796

Metabolite Identification

Common Name

Glutaminylglutamic acid

Description

Glutaminylglutamic acid, also known as QE or L-GLN-L-glu, 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. Glutaminylglutamic acid has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make glutaminylglutamic acid a potential biomarker for the consumption of these foods. Glutaminylglutamic acid is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review very few articles have been published on Glutaminylglutamic acid.

Structure

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

HMDB0028796
     RDKit          3D
Glutaminylglutamic acid
 36 35  0  0  0  0  0  0  0  0999 V2000
    5.2374    2.2838    0.4171 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1589    1.4289    0.8428 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2131    1.9504    1.5231 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1049    0.0072    0.5363 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7399   -0.5863    0.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8254   -0.0361   -0.5121 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6421    1.3465   -0.3579 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5779   -0.8472   -0.4743 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7453   -2.1086   -0.5740 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7211   -0.3348   -0.3425 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8661   -1.1968   -0.3174 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6697   -1.1389    0.9358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2497    0.1736    1.3069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1725    0.7141    0.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8232    1.5423   -0.5676 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4949    0.2576    0.3356 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7036   -1.0765   -1.5336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3457   -0.3215   -2.4659 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8852   -1.7778   -1.6788 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2159    1.9425    0.5018 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0668    3.2190    0.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7526   -0.5066    1.3146 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375   -0.2402   -0.4323 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8254   -1.7130    0.4611 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2044   -0.4002    1.5224 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2982   -0.2997   -1.5209 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1191    1.9733   -1.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8400    1.6870    0.1596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8685    0.6874   -0.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4299   -2.2540   -0.3577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0291   -1.5217    1.7665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4966   -1.9091    0.8668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750    0.9424    1.5535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8252    0.0661    2.2716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2248    0.7507    0.8146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9241   -2.7038   -2.0509 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
  6  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  1  0
 14 15  2  0
 14 16  1  0
 11 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  6
  7 27  1  0
  7 28  1  0
 10 29  1  0
 11 30  1  6
 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


  Mrv1652304062013362D          

 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
 2498.5455 2498.9928    0.0000 N   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 O   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>
HMDB0028796

> <DATABASE_NAME>
hmdb

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

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

> <INCHI_KEY>
OWOFCNWTMWOOJJ-WDSKDSINSA-N

> <FORMULA>
C10H17N3O6

> <MOLECULAR_WEIGHT>
275.261

> <EXACT_MASS>
275.111735279

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
36

> <JCHEM_AVERAGE_POLARIZABILITY>
26.18024502199184

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]pentanedioic acid

> <ALOGPS_LOGP>
-3.58

> <JCHEM_LOGP>
-5.173990981834211

> <ALOGPS_LOGS>
-1.64

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
4.094319527422637

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.2414314700822495

> <JCHEM_PKA_STRONGEST_BASIC>
8.225662561814257

> <JCHEM_POLAR_SURFACE_AREA>
172.80999999999997

> <JCHEM_REFRACTIVITY>
61.197700000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.31e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]pentanedioic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0028796
     RDKit          3D
Glutaminylglutamic acid
 36 35  0  0  0  0  0  0  0  0999 V2000
    5.2374    2.2838    0.4171 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1589    1.4289    0.8428 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2131    1.9504    1.5231 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1049    0.0072    0.5363 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7399   -0.5863    0.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8254   -0.0361   -0.5121 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6421    1.3465   -0.3579 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5779   -0.8472   -0.4743 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7453   -2.1086   -0.5740 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7211   -0.3348   -0.3425 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8661   -1.1968   -0.3174 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6697   -1.1389    0.9358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2497    0.1736    1.3069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1725    0.7141    0.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8232    1.5423   -0.5676 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4949    0.2576    0.3356 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7036   -1.0765   -1.5336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3457   -0.3215   -2.4659 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8852   -1.7778   -1.6788 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2159    1.9425    0.5018 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0668    3.2190    0.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7526   -0.5066    1.3146 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375   -0.2402   -0.4323 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8254   -1.7130    0.4611 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2044   -0.4002    1.5224 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2982   -0.2997   -1.5209 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1191    1.9733   -1.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8400    1.6870    0.1596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8685    0.6874   -0.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4299   -2.2540   -0.3577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0291   -1.5217    1.7665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4966   -1.9091    0.8668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750    0.9424    1.5535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8252    0.0661    2.2716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2248    0.7507    0.8146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9241   -2.7038   -2.0509 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
  6  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  1  0
 14 15  2  0
 14 16  1  0
 11 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  6
  7 27  1  0
  7 28  1  0
 10 29  1  0
 11 30  1  6
 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  N   UNK     0    4663.9524664.787   0.000  0.00  0.00           N+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  O   UNK     0    4662.6604668.581   0.000  0.00  0.00           O+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    HMDB0028796
HETATM    1  N1  UNL     1       5.237   2.284   0.417  1.00  0.00           N  
HETATM    2  C1  UNL     1       4.159   1.429   0.843  1.00  0.00           C  
HETATM    3  O1  UNL     1       3.213   1.950   1.523  1.00  0.00           O  
HETATM    4  C2  UNL     1       4.105   0.007   0.536  1.00  0.00           C  
HETATM    5  C3  UNL     1       2.740  -0.586   0.544  1.00  0.00           C  
HETATM    6  C4  UNL     1       1.825  -0.036  -0.512  1.00  0.00           C  
HETATM    7  N2  UNL     1       1.642   1.347  -0.358  1.00  0.00           N  
HETATM    8  C5  UNL     1       0.578  -0.847  -0.474  1.00  0.00           C  
HETATM    9  O2  UNL     1       0.745  -2.109  -0.574  1.00  0.00           O  
HETATM   10  N3  UNL     1      -0.721  -0.335  -0.343  1.00  0.00           N  
HETATM   11  C6  UNL     1      -1.866  -1.197  -0.317  1.00  0.00           C  
HETATM   12  C7  UNL     1      -2.670  -1.139   0.936  1.00  0.00           C  
HETATM   13  C8  UNL     1      -3.250   0.174   1.307  1.00  0.00           C  
HETATM   14  C9  UNL     1      -4.172   0.714   0.296  1.00  0.00           C  
HETATM   15  O3  UNL     1      -3.823   1.542  -0.568  1.00  0.00           O  
HETATM   16  O4  UNL     1      -5.495   0.258   0.336  1.00  0.00           O  
HETATM   17  C10 UNL     1      -2.704  -1.076  -1.534  1.00  0.00           C  
HETATM   18  O5  UNL     1      -2.346  -0.322  -2.466  1.00  0.00           O  
HETATM   19  O6  UNL     1      -3.885  -1.778  -1.679  1.00  0.00           O  
HETATM   20  H1  UNL     1       6.216   1.942   0.502  1.00  0.00           H  
HETATM   21  H2  UNL     1       5.067   3.219   0.032  1.00  0.00           H  
HETATM   22  H3  UNL     1       4.753  -0.507   1.315  1.00  0.00           H  
HETATM   23  H4  UNL     1       4.638  -0.240  -0.432  1.00  0.00           H  
HETATM   24  H5  UNL     1       2.825  -1.713   0.461  1.00  0.00           H  
HETATM   25  H6  UNL     1       2.204  -0.400   1.522  1.00  0.00           H  
HETATM   26  H7  UNL     1       2.298  -0.300  -1.521  1.00  0.00           H  
HETATM   27  H8  UNL     1       2.119   1.973  -1.001  1.00  0.00           H  
HETATM   28  H9  UNL     1       0.840   1.687   0.160  1.00  0.00           H  
HETATM   29  H10 UNL     1      -0.869   0.687  -0.260  1.00  0.00           H  
HETATM   30  H11 UNL     1      -1.430  -2.254  -0.358  1.00  0.00           H  
HETATM   31  H12 UNL     1      -2.029  -1.522   1.766  1.00  0.00           H  
HETATM   32  H13 UNL     1      -3.497  -1.909   0.867  1.00  0.00           H  
HETATM   33  H14 UNL     1      -2.475   0.942   1.553  1.00  0.00           H  
HETATM   34  H15 UNL     1      -3.825   0.066   2.272  1.00  0.00           H  
HETATM   35  H16 UNL     1      -6.225   0.751   0.815  1.00  0.00           H  
HETATM   36  H17 UNL     1      -3.924  -2.704  -2.051  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    8   26
CONECT    7   27   28
CONECT    8    9    9   10
CONECT   10   11   29
CONECT   11   12   17   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

HMDB0028796
     RDKit          3D
Glutaminylglutamic acid
 36 35  0  0  0  0  0  0  0  0999 V2000
    5.2374    2.2838    0.4171 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1589    1.4289    0.8428 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2131    1.9504    1.5231 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1049    0.0072    0.5363 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7399   -0.5863    0.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8254   -0.0361   -0.5121 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6421    1.3465   -0.3579 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5779   -0.8472   -0.4743 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7453   -2.1086   -0.5740 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7211   -0.3348   -0.3425 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8661   -1.1968   -0.3174 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6697   -1.1389    0.9358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2497    0.1736    1.3069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1725    0.7141    0.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8232    1.5423   -0.5676 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4949    0.2576    0.3356 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7036   -1.0765   -1.5336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3457   -0.3215   -2.4659 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8852   -1.7778   -1.6788 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2159    1.9425    0.5018 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0668    3.2190    0.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7526   -0.5066    1.3146 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375   -0.2402   -0.4323 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8254   -1.7130    0.4611 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2044   -0.4002    1.5224 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2982   -0.2997   -1.5209 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1191    1.9733   -1.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8400    1.6870    0.1596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8685    0.6874   -0.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4299   -2.2540   -0.3577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0291   -1.5217    1.7665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4966   -1.9091    0.8668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750    0.9424    1.5535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8252    0.0661    2.2716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2248    0.7507    0.8146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9241   -2.7038   -2.0509 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
  6  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  1  0
 14 15  2  0
 14 16  1  0
 11 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  6
  7 27  1  0
  7 28  1  0
 10 29  1  0
 11 30  1  6
 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
L-GLN-L-Glu	ChEBI
QE	ChEBI
Glutaminylglutamate	Generator
GLN-Glu	HMDB
L-Glutaminyl-L-glutamic acid	HMDB
L-Glutaminyl-L-glutamate	HMDB
N-Glutaminylglutamic acid	HMDB
N-Glutaminylglutamate	HMDB
N-L-Glutaminyl-L-glutamic acid	HMDB
N-L-Glutaminyl-L-glutamate	HMDB
Glutaminyl-glutamic acid	HMDB
Glutaminyl-glutamate	HMDB
Glutamine glutamic acid dipeptide	HMDB
Glutamine glutamate dipeptide	HMDB
Glutamine-glutamic acid dipeptide	HMDB
Glutamine-glutamate dipeptide	HMDB
Q-e Dipeptide	HMDB
QE dipeptide	HMDB
Glutaminylglutamic acid	HMDB, ChEBI

Chemical Formula

C₁₀H₁₇N₃O₆

Average Molecular Weight

275.261

Monoisotopic Molecular Weight

275.111735279

IUPAC Name

(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]pentanedioic acid

Traditional Name

(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]pentanedioic acid

CAS Registry Number

88830-90-4

SMILES

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

InChI Identifier

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

InChI Key

OWOFCNWTMWOOJJ-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
Alpha-amino acid amide
Alpha-amino acid or derivatives
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
Organic nitrogen compound
Organonitrogen compound
Primary aliphatic amine
Organooxygen compound
Primary amine
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organopnictogen compound
Amine
Organic oxygen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

dipeptide (CHEBI:73847 )

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	-5.18	Extrapolated

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	14.3 g/L	ALOGPS
logP	-3.6	ALOGPS
logP	-5.2	ChemAxon
logS	-1.6	ALOGPS
pKa (Strongest Acidic)	3.24	ChemAxon
pKa (Strongest Basic)	8.23	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	26.18 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]+	164.08	30932474
DeepCCS	[M-H]-	161.722	30932474
DeepCCS	[M-2H]-	194.608	30932474
DeepCCS	[M+Na]+	170.174	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
Glutaminylglutamic acid	N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O	3494.2	Standard polar	33892256
Glutaminylglutamic acid	N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O	2271.0	Standard non polar	33892256
Glutaminylglutamic acid	N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O	2870.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Glutaminylglutamic acid,1TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)O	2558.8	Semi standard non polar	33892256
Glutaminylglutamic acid,1TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(N)=O	2541.2	Semi standard non polar	33892256
Glutaminylglutamic acid,1TMS,isomer #3	C[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O	2597.4	Semi standard non polar	33892256
Glutaminylglutamic acid,1TMS,isomer #4	C[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	2620.6	Semi standard non polar	33892256
Glutaminylglutamic acid,1TMS,isomer #5	C[Si](C)(C)N(C(=O)[C@@H](N)CCC(N)=O)[C@@H](CCC(=O)O)C(=O)O	2564.1	Semi standard non polar	33892256
Glutaminylglutamic acid,2TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)O[Si](C)(C)C	2575.4	Semi standard non polar	33892256
Glutaminylglutamic acid,2TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C	2609.6	Semi standard non polar	33892256
Glutaminylglutamic acid,2TMS,isomer #11	C[Si](C)(C)N(C(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C	2752.0	Semi standard non polar	33892256
Glutaminylglutamic acid,2TMS,isomer #12	C[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C	2606.1	Semi standard non polar	33892256
Glutaminylglutamic acid,2TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O	2620.5	Semi standard non polar	33892256
Glutaminylglutamic acid,2TMS,isomer #3	C[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O	2633.3	Semi standard non polar	33892256
Glutaminylglutamic acid,2TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(N)=O)[Si](C)(C)C	2557.5	Semi standard non polar	33892256
Glutaminylglutamic acid,2TMS,isomer #5	C[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C	2622.9	Semi standard non polar	33892256
Glutaminylglutamic acid,2TMS,isomer #6	C[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C	2623.3	Semi standard non polar	33892256
Glutaminylglutamic acid,2TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)[C@@H](N)CCC(N)=O)[Si](C)(C)C	2565.9	Semi standard non polar	33892256
Glutaminylglutamic acid,2TMS,isomer #8	C[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O	2683.6	Semi standard non polar	33892256
Glutaminylglutamic acid,2TMS,isomer #9	C[Si](C)(C)N([C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C	2730.6	Semi standard non polar	33892256
Glutaminylglutamic acid,3TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2642.9	Semi standard non polar	33892256
Glutaminylglutamic acid,3TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2521.7	Standard non polar	33892256
Glutaminylglutamic acid,3TMS,isomer #10	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C	2757.1	Semi standard non polar	33892256
Glutaminylglutamic acid,3TMS,isomer #10	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C	2603.1	Standard non polar	33892256
Glutaminylglutamic acid,3TMS,isomer #11	C[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2611.4	Semi standard non polar	33892256
Glutaminylglutamic acid,3TMS,isomer #11	C[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2532.0	Standard non polar	33892256
Glutaminylglutamic acid,3TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C	2738.8	Semi standard non polar	33892256
Glutaminylglutamic acid,3TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C	2586.4	Standard non polar	33892256
Glutaminylglutamic acid,3TMS,isomer #13	C[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2602.8	Semi standard non polar	33892256
Glutaminylglutamic acid,3TMS,isomer #13	C[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2580.0	Standard non polar	33892256
Glutaminylglutamic acid,3TMS,isomer #14	C[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O	2792.0	Semi standard non polar	33892256
Glutaminylglutamic acid,3TMS,isomer #14	C[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O	2683.9	Standard non polar	33892256
Glutaminylglutamic acid,3TMS,isomer #15	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2814.8	Semi standard non polar	33892256
Glutaminylglutamic acid,3TMS,isomer #15	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2727.5	Standard non polar	33892256
Glutaminylglutamic acid,3TMS,isomer #16	C[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C	2659.9	Semi standard non polar	33892256
Glutaminylglutamic acid,3TMS,isomer #16	C[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C	2691.6	Standard non polar	33892256
Glutaminylglutamic acid,3TMS,isomer #17	C[Si](C)(C)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(=O)O)C(=O)O	2719.7	Semi standard non polar	33892256
Glutaminylglutamic acid,3TMS,isomer #17	C[Si](C)(C)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(=O)O)C(=O)O	2622.9	Standard non polar	33892256
Glutaminylglutamic acid,3TMS,isomer #18	C[Si](C)(C)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(=O)O)C(=O)O	2699.5	Semi standard non polar	33892256
Glutaminylglutamic acid,3TMS,isomer #18	C[Si](C)(C)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(=O)O)C(=O)O	2645.3	Standard non polar	33892256
Glutaminylglutamic acid,3TMS,isomer #2	C[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2632.8	Semi standard non polar	33892256
Glutaminylglutamic acid,3TMS,isomer #2	C[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2542.4	Standard non polar	33892256
Glutaminylglutamic acid,3TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(N)=O)[Si](C)(C)C	2546.2	Semi standard non polar	33892256
Glutaminylglutamic acid,3TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(N)=O)[Si](C)(C)C	2467.9	Standard non polar	33892256
Glutaminylglutamic acid,3TMS,isomer #4	C[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O	2683.6	Semi standard non polar	33892256
Glutaminylglutamic acid,3TMS,isomer #4	C[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O	2668.2	Standard non polar	33892256
Glutaminylglutamic acid,3TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2763.7	Semi standard non polar	33892256
Glutaminylglutamic acid,3TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2647.2	Standard non polar	33892256
Glutaminylglutamic acid,3TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2599.9	Semi standard non polar	33892256
Glutaminylglutamic acid,3TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2579.6	Standard non polar	33892256
Glutaminylglutamic acid,3TMS,isomer #7	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2739.6	Semi standard non polar	33892256
Glutaminylglutamic acid,3TMS,isomer #7	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2624.0	Standard non polar	33892256
Glutaminylglutamic acid,3TMS,isomer #8	C[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2585.9	Semi standard non polar	33892256
Glutaminylglutamic acid,3TMS,isomer #8	C[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2625.1	Standard non polar	33892256
Glutaminylglutamic acid,3TMS,isomer #9	C[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C	2699.6	Semi standard non polar	33892256
Glutaminylglutamic acid,3TMS,isomer #9	C[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C	2635.0	Standard non polar	33892256
Glutaminylglutamic acid,4TMS,isomer #1	C[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2702.7	Semi standard non polar	33892256
Glutaminylglutamic acid,4TMS,isomer #1	C[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2661.2	Standard non polar	33892256
Glutaminylglutamic acid,4TMS,isomer #10	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2694.9	Semi standard non polar	33892256
Glutaminylglutamic acid,4TMS,isomer #10	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2692.8	Standard non polar	33892256
Glutaminylglutamic acid,4TMS,isomer #11	C[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C	2777.8	Semi standard non polar	33892256
Glutaminylglutamic acid,4TMS,isomer #11	C[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C	2703.8	Standard non polar	33892256
Glutaminylglutamic acid,4TMS,isomer #12	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2814.7	Semi standard non polar	33892256
Glutaminylglutamic acid,4TMS,isomer #12	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2736.4	Standard non polar	33892256
Glutaminylglutamic acid,4TMS,isomer #13	C[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2664.9	Semi standard non polar	33892256
Glutaminylglutamic acid,4TMS,isomer #13	C[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2683.1	Standard non polar	33892256
Glutaminylglutamic acid,4TMS,isomer #14	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2758.7	Semi standard non polar	33892256
Glutaminylglutamic acid,4TMS,isomer #14	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2643.1	Standard non polar	33892256
Glutaminylglutamic acid,4TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2701.8	Semi standard non polar	33892256
Glutaminylglutamic acid,4TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2661.0	Standard non polar	33892256
Glutaminylglutamic acid,4TMS,isomer #16	C[Si](C)(C)N(C(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2922.4	Semi standard non polar	33892256
Glutaminylglutamic acid,4TMS,isomer #16	C[Si](C)(C)N(C(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2805.2	Standard non polar	33892256
Glutaminylglutamic acid,4TMS,isomer #17	C[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C	2749.0	Semi standard non polar	33892256
Glutaminylglutamic acid,4TMS,isomer #17	C[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C	2754.4	Standard non polar	33892256
Glutaminylglutamic acid,4TMS,isomer #18	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2768.5	Semi standard non polar	33892256
Glutaminylglutamic acid,4TMS,isomer #18	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2776.6	Standard non polar	33892256
Glutaminylglutamic acid,4TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2748.9	Semi standard non polar	33892256
Glutaminylglutamic acid,4TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2637.5	Standard non polar	33892256
Glutaminylglutamic acid,4TMS,isomer #3	C[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2589.3	Semi standard non polar	33892256
Glutaminylglutamic acid,4TMS,isomer #3	C[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2569.2	Standard non polar	33892256
Glutaminylglutamic acid,4TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2728.7	Semi standard non polar	33892256
Glutaminylglutamic acid,4TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2633.6	Standard non polar	33892256
Glutaminylglutamic acid,4TMS,isomer #5	C[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2559.4	Semi standard non polar	33892256
Glutaminylglutamic acid,4TMS,isomer #5	C[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2608.7	Standard non polar	33892256
Glutaminylglutamic acid,4TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O	2761.6	Semi standard non polar	33892256
Glutaminylglutamic acid,4TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O	2729.8	Standard non polar	33892256
Glutaminylglutamic acid,4TMS,isomer #7	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2810.4	Semi standard non polar	33892256
Glutaminylglutamic acid,4TMS,isomer #7	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2763.4	Standard non polar	33892256
Glutaminylglutamic acid,4TMS,isomer #8	C[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2640.7	Semi standard non polar	33892256
Glutaminylglutamic acid,4TMS,isomer #8	C[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2712.6	Standard non polar	33892256
Glutaminylglutamic acid,4TMS,isomer #9	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2736.3	Semi standard non polar	33892256
Glutaminylglutamic acid,4TMS,isomer #9	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2679.0	Standard non polar	33892256
Glutaminylglutamic acid,5TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2735.5	Semi standard non polar	33892256
Glutaminylglutamic acid,5TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2732.4	Standard non polar	33892256
Glutaminylglutamic acid,5TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2740.3	Semi standard non polar	33892256
Glutaminylglutamic acid,5TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2755.8	Standard non polar	33892256
Glutaminylglutamic acid,5TMS,isomer #11	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2786.7	Semi standard non polar	33892256
Glutaminylglutamic acid,5TMS,isomer #11	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2774.8	Standard non polar	33892256
Glutaminylglutamic acid,5TMS,isomer #12	C[Si](C)(C)N(C(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(=O)O)C(=O)O	2896.6	Semi standard non polar	33892256
Glutaminylglutamic acid,5TMS,isomer #12	C[Si](C)(C)N(C(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(=O)O)C(=O)O	2857.5	Standard non polar	33892256
Glutaminylglutamic acid,5TMS,isomer #2	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2773.9	Semi standard non polar	33892256
Glutaminylglutamic acid,5TMS,isomer #2	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2765.7	Standard non polar	33892256
Glutaminylglutamic acid,5TMS,isomer #3	C[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2611.2	Semi standard non polar	33892256
Glutaminylglutamic acid,5TMS,isomer #3	C[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2705.5	Standard non polar	33892256
Glutaminylglutamic acid,5TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2752.8	Semi standard non polar	33892256
Glutaminylglutamic acid,5TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2684.0	Standard non polar	33892256
Glutaminylglutamic acid,5TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2673.8	Semi standard non polar	33892256
Glutaminylglutamic acid,5TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2698.2	Standard non polar	33892256
Glutaminylglutamic acid,5TMS,isomer #6	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2920.5	Semi standard non polar	33892256
Glutaminylglutamic acid,5TMS,isomer #6	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2837.8	Standard non polar	33892256
Glutaminylglutamic acid,5TMS,isomer #7	C[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2732.7	Semi standard non polar	33892256
Glutaminylglutamic acid,5TMS,isomer #7	C[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2777.5	Standard non polar	33892256
Glutaminylglutamic acid,5TMS,isomer #8	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2763.5	Semi standard non polar	33892256
Glutaminylglutamic acid,5TMS,isomer #8	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2799.8	Standard non polar	33892256
Glutaminylglutamic acid,5TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2926.2	Semi standard non polar	33892256
Glutaminylglutamic acid,5TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2814.4	Standard non polar	33892256
Glutaminylglutamic acid,6TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2890.7	Semi standard non polar	33892256
Glutaminylglutamic acid,6TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2844.4	Standard non polar	33892256
Glutaminylglutamic acid,6TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2719.1	Semi standard non polar	33892256
Glutaminylglutamic acid,6TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2782.3	Standard non polar	33892256
Glutaminylglutamic acid,6TMS,isomer #3	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2759.5	Semi standard non polar	33892256
Glutaminylglutamic acid,6TMS,isomer #3	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2800.9	Standard non polar	33892256
Glutaminylglutamic acid,6TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2909.6	Semi standard non polar	33892256
Glutaminylglutamic acid,6TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2885.0	Standard non polar	33892256
Glutaminylglutamic acid,6TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2922.6	Semi standard non polar	33892256
Glutaminylglutamic acid,6TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2864.3	Standard non polar	33892256
Glutaminylglutamic acid,7TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2941.1	Semi standard non polar	33892256
Glutaminylglutamic acid,7TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2889.2	Standard non polar	33892256
Glutaminylglutamic acid,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)O	2825.8	Semi standard non polar	33892256
Glutaminylglutamic acid,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(N)=O	2803.3	Semi standard non polar	33892256
Glutaminylglutamic acid,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O	2853.6	Semi standard non polar	33892256
Glutaminylglutamic acid,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	2893.4	Semi standard non polar	33892256
Glutaminylglutamic acid,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCC(N)=O)[C@@H](CCC(=O)O)C(=O)O	2825.1	Semi standard non polar	33892256
Glutaminylglutamic acid,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3061.5	Semi standard non polar	33892256
Glutaminylglutamic acid,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3084.2	Semi standard non polar	33892256
Glutaminylglutamic acid,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3205.1	Semi standard non polar	33892256
Glutaminylglutamic acid,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3079.1	Semi standard non polar	33892256
Glutaminylglutamic acid,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3099.5	Semi standard non polar	33892256
Glutaminylglutamic acid,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3131.7	Semi standard non polar	33892256
Glutaminylglutamic acid,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(N)=O)[Si](C)(C)C(C)(C)C	3045.9	Semi standard non polar	33892256
Glutaminylglutamic acid,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3082.5	Semi standard non polar	33892256
Glutaminylglutamic acid,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3102.6	Semi standard non polar	33892256
Glutaminylglutamic acid,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)[C@@H](N)CCC(N)=O)[Si](C)(C)C(C)(C)C	3040.3	Semi standard non polar	33892256
Glutaminylglutamic acid,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O	3166.0	Semi standard non polar	33892256
Glutaminylglutamic acid,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N([C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3184.8	Semi standard non polar	33892256
Glutaminylglutamic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3296.9	Semi standard non polar	33892256
Glutaminylglutamic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3078.3	Standard non polar	33892256
Glutaminylglutamic acid,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3412.4	Semi standard non polar	33892256
Glutaminylglutamic acid,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3103.3	Standard non polar	33892256
Glutaminylglutamic acid,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3302.3	Semi standard non polar	33892256
Glutaminylglutamic acid,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3047.2	Standard non polar	33892256
Glutaminylglutamic acid,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3394.0	Semi standard non polar	33892256
Glutaminylglutamic acid,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3095.2	Standard non polar	33892256
Glutaminylglutamic acid,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3281.0	Semi standard non polar	33892256
Glutaminylglutamic acid,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3062.9	Standard non polar	33892256
Glutaminylglutamic acid,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O	3447.9	Semi standard non polar	33892256
Glutaminylglutamic acid,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O	3172.1	Standard non polar	33892256
Glutaminylglutamic acid,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3478.9	Semi standard non polar	33892256
Glutaminylglutamic acid,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3174.9	Standard non polar	33892256
Glutaminylglutamic acid,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3336.7	Semi standard non polar	33892256
Glutaminylglutamic acid,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3107.6	Standard non polar	33892256
Glutaminylglutamic acid,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCC(=O)O)C(=O)O	3387.5	Semi standard non polar	33892256
Glutaminylglutamic acid,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCC(=O)O)C(=O)O	3107.0	Standard non polar	33892256
Glutaminylglutamic acid,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCC(=O)O)C(=O)O	3357.5	Semi standard non polar	33892256
Glutaminylglutamic acid,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCC(=O)O)C(=O)O	3116.2	Standard non polar	33892256
Glutaminylglutamic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3316.9	Semi standard non polar	33892256
Glutaminylglutamic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3075.0	Standard non polar	33892256
Glutaminylglutamic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCC(N)=O)[Si](C)(C)C(C)(C)C	3252.1	Semi standard non polar	33892256
Glutaminylglutamic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCC(N)=O)[Si](C)(C)C(C)(C)C	3025.3	Standard non polar	33892256
Glutaminylglutamic acid,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3356.5	Semi standard non polar	33892256
Glutaminylglutamic acid,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3148.3	Standard non polar	33892256
Glutaminylglutamic acid,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3439.8	Semi standard non polar	33892256
Glutaminylglutamic acid,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3151.2	Standard non polar	33892256
Glutaminylglutamic acid,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3318.4	Semi standard non polar	33892256
Glutaminylglutamic acid,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3079.6	Standard non polar	33892256
Glutaminylglutamic acid,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3421.8	Semi standard non polar	33892256
Glutaminylglutamic acid,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3140.8	Standard non polar	33892256
Glutaminylglutamic acid,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3302.7	Semi standard non polar	33892256
Glutaminylglutamic acid,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3094.1	Standard non polar	33892256
Glutaminylglutamic acid,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3336.8	Semi standard non polar	33892256
Glutaminylglutamic acid,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3104.9	Standard non polar	33892256
Glutaminylglutamic acid,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3540.2	Semi standard non polar	33892256
Glutaminylglutamic acid,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3278.8	Standard non polar	33892256
Glutaminylglutamic acid,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3582.7	Semi standard non polar	33892256
Glutaminylglutamic acid,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3314.0	Standard non polar	33892256
Glutaminylglutamic acid,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3632.2	Semi standard non polar	33892256
Glutaminylglutamic acid,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3313.8	Standard non polar	33892256
Glutaminylglutamic acid,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)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	3682.8	Semi standard non polar	33892256
Glutaminylglutamic acid,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)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	3322.9	Standard non polar	33892256
Glutaminylglutamic acid,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3519.7	Semi standard non polar	33892256
Glutaminylglutamic acid,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3265.9	Standard non polar	33892256
Glutaminylglutamic acid,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3630.5	Semi standard non polar	33892256
Glutaminylglutamic acid,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3292.5	Standard non polar	33892256
Glutaminylglutamic acid,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3564.9	Semi standard non polar	33892256
Glutaminylglutamic acid,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3293.7	Standard non polar	33892256
Glutaminylglutamic acid,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3760.5	Semi standard non polar	33892256
Glutaminylglutamic acid,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3396.4	Standard non polar	33892256
Glutaminylglutamic acid,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3621.9	Semi standard non polar	33892256
Glutaminylglutamic acid,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3329.6	Standard non polar	33892256
Glutaminylglutamic acid,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)N([C@@H](CCC(=O)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	3653.6	Semi standard non polar	33892256
Glutaminylglutamic acid,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)N([C@@H](CCC(=O)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	3338.3	Standard non polar	33892256
Glutaminylglutamic acid,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=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	3633.2	Semi standard non polar	33892256
Glutaminylglutamic acid,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=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	3297.2	Standard non polar	33892256
Glutaminylglutamic acid,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3495.0	Semi standard non polar	33892256
Glutaminylglutamic acid,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3248.7	Standard non polar	33892256
Glutaminylglutamic acid,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@@H](N)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	3587.5	Semi standard non polar	33892256
Glutaminylglutamic acid,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@@H](N)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	3293.5	Standard non polar	33892256
Glutaminylglutamic acid,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3480.9	Semi standard non polar	33892256
Glutaminylglutamic acid,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3256.7	Standard non polar	33892256
Glutaminylglutamic acid,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3649.5	Semi standard non polar	33892256
Glutaminylglutamic acid,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3352.2	Standard non polar	33892256
Glutaminylglutamic acid,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)O[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	3712.4	Semi standard non polar	33892256
Glutaminylglutamic acid,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)O[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	3357.0	Standard non polar	33892256
Glutaminylglutamic acid,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3532.4	Semi standard non polar	33892256
Glutaminylglutamic acid,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3288.0	Standard non polar	33892256
Glutaminylglutamic acid,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3642.6	Semi standard non polar	33892256
Glutaminylglutamic acid,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3314.3	Standard non polar	33892256
Glutaminylglutamic acid,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3818.9	Semi standard non polar	33892256
Glutaminylglutamic acid,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3487.3	Standard non polar	33892256
Glutaminylglutamic acid,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3805.5	Semi standard non polar	33892256
Glutaminylglutamic acid,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3491.0	Standard non polar	33892256
Glutaminylglutamic acid,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3871.2	Semi standard non polar	33892256
Glutaminylglutamic acid,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3500.0	Standard non polar	33892256
Glutaminylglutamic acid,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCC(=O)N([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)[C@@H](CCC(=O)O)C(=O)O	3942.8	Semi standard non polar	33892256
Glutaminylglutamic acid,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCC(=O)N([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)[C@@H](CCC(=O)O)C(=O)O	3565.6	Standard non polar	33892256
Glutaminylglutamic acid,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3893.9	Semi standard non polar	33892256
Glutaminylglutamic acid,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3492.9	Standard non polar	33892256
Glutaminylglutamic acid,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3694.5	Semi standard non polar	33892256
Glutaminylglutamic acid,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3442.0	Standard non polar	33892256
Glutaminylglutamic acid,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3851.6	Semi standard non polar	33892256
Glutaminylglutamic acid,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3474.0	Standard non polar	33892256
Glutaminylglutamic acid,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3778.3	Semi standard non polar	33892256
Glutaminylglutamic acid,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3476.7	Standard non polar	33892256
Glutaminylglutamic acid,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)N([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)C(=O)O	3995.2	Semi standard non polar	33892256
Glutaminylglutamic acid,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)N([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)C(=O)O	3564.9	Standard non polar	33892256
Glutaminylglutamic acid,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3821.6	Semi standard non polar	33892256
Glutaminylglutamic acid,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3505.2	Standard non polar	33892256
Glutaminylglutamic acid,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3874.5	Semi standard non polar	33892256
Glutaminylglutamic acid,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3514.3	Standard non polar	33892256
Glutaminylglutamic acid,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N([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	3973.4	Semi standard non polar	33892256
Glutaminylglutamic acid,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N([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	3541.3	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Glutaminylglutamic acid GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylglutamic acid 10V, Positive-QTOF	splash10-0a4i-0290000000-3843b84ec73e77aa3d60	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylglutamic acid 20V, Positive-QTOF	splash10-0f89-4980000000-e0a2c3fb2eb413a78b2b	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylglutamic acid 40V, Positive-QTOF	splash10-0pc0-9300000000-413c4660e5b91f514c34	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylglutamic acid 10V, Negative-QTOF	splash10-05fr-0090000000-25a9630aa94183d86f1f	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylglutamic acid 20V, Negative-QTOF	splash10-0bwd-2890000000-46af8456bfe55cbe99d9	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylglutamic acid 40V, Negative-QTOF	splash10-0006-9700000000-74569c7d977cbbc9a371	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylglutamic acid 10V, Positive-QTOF	splash10-004i-0950000000-025707f9e5d814a5411d	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylglutamic acid 20V, Positive-QTOF	splash10-0ufr-3920000000-7c6d498979638a5fbc29	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylglutamic acid 40V, Positive-QTOF	splash10-0zfr-9400000000-798f8a076102c015d3bc	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylglutamic acid 10V, Negative-QTOF	splash10-05fr-0290000000-43c28da0801602ded7fd	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylglutamic acid 20V, Negative-QTOF	splash10-0fbc-0910000000-f909c1632910e3fd600f	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylglutamic acid 40V, Negative-QTOF	splash10-0udl-5900000000-8cbf302d52d54f9b3335	2021-10-12	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

FDB111845

KNApSAcK ID

Not Available

Chemspider ID

5382986

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

7020029

PDB ID

Not Available

ChEBI ID

73847

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for Glutaminylglutamic acid (HMDB0028796)

MOL for HMDB0028796 (Glutaminylglutamic acid)

3D MOL for HMDB0028796 (Glutaminylglutamic acid)

3D SDF for HMDB0028796 (Glutaminylglutamic acid)

3D-SDF for HMDB0028796 (Glutaminylglutamic acid)

PDB for HMDB0028796 (Glutaminylglutamic acid)

3D PDB for HMDB0028796 (Glutaminylglutamic acid)

SMILES for HMDB0028796 (Glutaminylglutamic acid)

INCHI for HMDB0028796 (Glutaminylglutamic acid)

Structure for HMDB0028796 (Glutaminylglutamic acid)

3D Structure for HMDB0028796 (Glutaminylglutamic acid)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra