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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-06 21:02:29 UTC

Update Date

2021-09-14 15:41:22 UTC

HMDB ID

HMDB0028790

Secondary Accession Numbers

HMDB28790

Metabolite Identification

Common Name

Glutaminylalanine

Description

Glutaminylalanine, also known as Q-a dipeptide or GLN-ala, 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. Glutaminylalanine 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 glutaminylalanine a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Glutaminylalanine.

Structure

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

HMDB0028790
     RDKit          3D
Glutaminylalanine
 30 29  0  0  0  0  0  0  0  0999 V2000
   -3.7700    1.1204   -0.7410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8957    0.2547    0.1386 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5203    0.2520   -0.2711 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4866    0.7387    0.5638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8048    1.1788    1.6864 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9449    0.7391    0.1449 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7232    1.2931    1.2124 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3782   -0.6031   -0.3538 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8093   -0.6304   -0.7791 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7358   -0.3881    0.3203 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0790    0.0819    0.0467 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3851   -0.5867    1.5129 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4660   -1.1219    0.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7259   -2.1114   -0.0935 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7553   -1.3900    0.5660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9798    2.1105   -0.2593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7834    0.6508   -0.8683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3709    1.2753   -1.7459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9519    0.6844    1.1601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2654   -0.1147   -1.2035 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0911    1.4439   -0.7262 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7891    2.3357    1.1314 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3134    1.1196    2.1668 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1759   -1.4080    0.3978 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7660   -0.8916   -1.2545 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0655   -1.5929   -1.2997 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0199    0.1621   -1.5553 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5552    0.6069    0.7918 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4774   -0.1353   -0.8723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5329   -1.5699   -0.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
  2 13  1  0
 13 14  2  0
 13 15  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  2 19  1  1
  3 20  1  0
  6 21  1  6
  7 22  1  0
  7 23  1  0
  8 24  1  0
  8 25  1  0
  9 26  1  0
  9 27  1  0
 11 28  1  0
 11 29  1  0
 15 30  1  0
M  END


  Mrv1652304062013352D          

 15 14  0  0  0  0            999 V2000
 2499.6425 2499.7941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2500.3574 2500.2058    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 2501.0723 2499.7941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2501.7875 2500.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2502.5024 2499.7941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2503.2173 2500.2058    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2502.5024 2498.9684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2500.3574 2501.0315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2498.9276 2500.2058    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2498.2124 2499.7941    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 2497.4975 2500.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2496.7826 2499.7941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2497.4975 2501.0315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2498.2124 2498.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2499.6425 2498.9684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  1  0  0  0  0
  1 15  2  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  1  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0028790

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C8H15N3O4/c1-4(8(14)15)11-7(13)5(9)2-3-6(10)12/h4-5H,2-3,9H2,1H3,(H2,10,12)(H,11,13)(H,14,15)/t4-,5-/m0/s1

> <INCHI_KEY>
FAQVCWVVIYYWRR-WHFBIAKZSA-N

> <FORMULA>
C8H15N3O4

> <MOLECULAR_WEIGHT>
217.225

> <EXACT_MASS>
217.106255975

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
30

> <JCHEM_AVERAGE_POLARIZABILITY>
21.244564764308123

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-3.14

> <JCHEM_LOGP>
-4.539920394668553

> <ALOGPS_LOGS>
-1.25

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.65285299981294

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.5757537674554625

> <JCHEM_PKA_STRONGEST_BASIC>
8.225655806115782

> <JCHEM_POLAR_SURFACE_AREA>
135.51

> <JCHEM_REFRACTIVITY>
50.407300000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.24e+01 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0028790
     RDKit          3D
Glutaminylalanine
 30 29  0  0  0  0  0  0  0  0999 V2000
   -3.7700    1.1204   -0.7410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8957    0.2547    0.1386 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5203    0.2520   -0.2711 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4866    0.7387    0.5638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8048    1.1788    1.6864 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9449    0.7391    0.1449 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7232    1.2931    1.2124 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3782   -0.6031   -0.3538 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8093   -0.6304   -0.7791 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7358   -0.3881    0.3203 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0790    0.0819    0.0467 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3851   -0.5867    1.5129 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4660   -1.1219    0.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7259   -2.1114   -0.0935 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7553   -1.3900    0.5660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9798    2.1105   -0.2593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7834    0.6508   -0.8683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3709    1.2753   -1.7459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9519    0.6844    1.1601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2654   -0.1147   -1.2035 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0911    1.4439   -0.7262 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7891    2.3357    1.1314 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3134    1.1196    2.1668 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1759   -1.4080    0.3978 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7660   -0.8916   -1.2545 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0655   -1.5929   -1.2997 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0199    0.1621   -1.5553 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5552    0.6069    0.7918 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4774   -0.1353   -0.8723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5329   -1.5699   -0.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
  2 13  1  0
 13 14  2  0
 13 15  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  2 19  1  1
  3 20  1  0
  6 21  1  6
  7 22  1  0
  7 23  1  0
  8 24  1  0
  8 25  1  0
  9 26  1  0
  9 27  1  0
 11 28  1  0
 11 29  1  0
 15 30  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    4665.9994666.282   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    4667.3344667.051   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    4668.6684666.282   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    4670.0034667.051   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0    4671.3384666.282   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0    4672.6724667.051   0.000  0.00  0.00           N+0
HETATM    7  O   UNK     0    4671.3384664.741   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0    4667.3344668.592   0.000  0.00  0.00           N+0
HETATM    9  N   UNK     0    4664.6654667.051   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0    4663.3304666.282   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    4661.9954667.051   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0    4660.6614666.282   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0    4661.9954668.592   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0    4663.3304664.741   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0    4665.9994664.741   0.000  0.00  0.00           O+0
CONECT    1    2    9   15                                                  
CONECT    2    1    3    8                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5                                                            
CONECT    8    2                                                            
CONECT    9    1   10                                                       
CONECT   10    9   11   14                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14   10                                                            
CONECT   15    1                                                            
MASTER        0    0    0    0    0    0    0    0   15    0   28    0
END

COMPND    HMDB0028790
HETATM    1  C1  UNL     1      -3.770   1.120  -0.741  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.896   0.255   0.139  1.00  0.00           C  
HETATM    3  N1  UNL     1      -1.520   0.252  -0.271  1.00  0.00           N  
HETATM    4  C3  UNL     1      -0.487   0.739   0.564  1.00  0.00           C  
HETATM    5  O1  UNL     1      -0.805   1.179   1.686  1.00  0.00           O  
HETATM    6  C4  UNL     1       0.945   0.739   0.145  1.00  0.00           C  
HETATM    7  N2  UNL     1       1.723   1.293   1.212  1.00  0.00           N  
HETATM    8  C5  UNL     1       1.378  -0.603  -0.354  1.00  0.00           C  
HETATM    9  C6  UNL     1       2.809  -0.630  -0.779  1.00  0.00           C  
HETATM   10  C7  UNL     1       3.736  -0.388   0.320  1.00  0.00           C  
HETATM   11  N3  UNL     1       5.079   0.082   0.047  1.00  0.00           N  
HETATM   12  O2  UNL     1       3.385  -0.587   1.513  1.00  0.00           O  
HETATM   13  C8  UNL     1      -3.466  -1.122   0.203  1.00  0.00           C  
HETATM   14  O3  UNL     1      -2.726  -2.111  -0.093  1.00  0.00           O  
HETATM   15  O4  UNL     1      -4.755  -1.390   0.566  1.00  0.00           O  
HETATM   16  H1  UNL     1      -3.980   2.110  -0.259  1.00  0.00           H  
HETATM   17  H2  UNL     1      -4.783   0.651  -0.868  1.00  0.00           H  
HETATM   18  H3  UNL     1      -3.371   1.275  -1.746  1.00  0.00           H  
HETATM   19  H4  UNL     1      -2.952   0.684   1.160  1.00  0.00           H  
HETATM   20  H5  UNL     1      -1.265  -0.115  -1.204  1.00  0.00           H  
HETATM   21  H6  UNL     1       1.091   1.444  -0.726  1.00  0.00           H  
HETATM   22  H7  UNL     1       1.789   2.336   1.131  1.00  0.00           H  
HETATM   23  H8  UNL     1       1.313   1.120   2.167  1.00  0.00           H  
HETATM   24  H9  UNL     1       1.176  -1.408   0.398  1.00  0.00           H  
HETATM   25  H10 UNL     1       0.766  -0.892  -1.255  1.00  0.00           H  
HETATM   26  H11 UNL     1       3.066  -1.593  -1.300  1.00  0.00           H  
HETATM   27  H12 UNL     1       3.020   0.162  -1.555  1.00  0.00           H  
HETATM   28  H13 UNL     1       5.555   0.607   0.792  1.00  0.00           H  
HETATM   29  H14 UNL     1       5.477  -0.135  -0.872  1.00  0.00           H  
HETATM   30  H15 UNL     1      -5.533  -1.570  -0.019  1.00  0.00           H  
CONECT    1    2   16   17   18
CONECT    2    3   13   19
CONECT    3    4   20
CONECT    4    5    5    6
CONECT    6    7    8   21
CONECT    7   22   23
CONECT    8    9   24   25
CONECT    9   10   26   27
CONECT   10   11   12   12
CONECT   11   28   29
CONECT   13   14   14   15
CONECT   15   30
END

HMDB0028790
     RDKit          3D
Glutaminylalanine
 30 29  0  0  0  0  0  0  0  0999 V2000
   -3.7700    1.1204   -0.7410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8957    0.2547    0.1386 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5203    0.2520   -0.2711 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4866    0.7387    0.5638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8048    1.1788    1.6864 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9449    0.7391    0.1449 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7232    1.2931    1.2124 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3782   -0.6031   -0.3538 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8093   -0.6304   -0.7791 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7358   -0.3881    0.3203 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0790    0.0819    0.0467 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3851   -0.5867    1.5129 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4660   -1.1219    0.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7259   -2.1114   -0.0935 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7553   -1.3900    0.5660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9798    2.1105   -0.2593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7834    0.6508   -0.8683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3709    1.2753   -1.7459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9519    0.6844    1.1601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2654   -0.1147   -1.2035 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0911    1.4439   -0.7262 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7891    2.3357    1.1314 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3134    1.1196    2.1668 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1759   -1.4080    0.3978 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7660   -0.8916   -1.2545 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0655   -1.5929   -1.2997 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0199    0.1621   -1.5553 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5552    0.6069    0.7918 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4774   -0.1353   -0.8723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5329   -1.5699   -0.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
  2 13  1  0
 13 14  2  0
 13 15  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  2 19  1  1
  3 20  1  0
  6 21  1  6
  7 22  1  0
  7 23  1  0
  8 24  1  0
  8 25  1  0
  9 26  1  0
  9 27  1  0
 11 28  1  0
 11 29  1  0
 15 30  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
GLN-Ala	HMDB
L-Glutaminyl-L-alanine	HMDB
N-Glutaminylalanine	HMDB
N-L-Glutaminyl-L-alanine	HMDB
Glutaminyl-alanine	HMDB
Glutamine alanine dipeptide	HMDB
Glutamine-alanine dipeptide	HMDB
Q-a Dipeptide	HMDB
QA dipeptide	HMDB
L-GLN-L-Ala	HMDB
(2S)-2-{[(2S)-2-amino-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}propanoate	HMDB
Glutaminylalanine	HMDB

Chemical Formula

C₈H₁₅N₃O₄

Average Molecular Weight

217.225

Monoisotopic Molecular Weight

217.106255975

IUPAC Name

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

Traditional Name

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

CAS Registry Number

16874-70-7

SMILES

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

InChI Identifier

InChI=1S/C8H15N3O4/c1-4(8(14)15)11-7(13)5(9)2-3-6(10)12/h4-5H,2-3,9H2,1H3,(H2,10,12)(H,11,13)(H,14,15)/t4-,5-/m0/s1

InChI Key

FAQVCWVVIYYWRR-WHFBIAKZSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Dipeptides

Alternative Parents

Substituents

Alpha-dipeptide
Glutamine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
N-acyl-l-alpha-amino acid
Alpha-amino acid amide
Alanine or derivatives
Alpha-amino acid or derivatives
N-acyl-amine
Fatty acyl
Fatty amide
Amino acid
Carboxamide group
Secondary carboxylic acid amide
Primary carboxylic acid amide
Amino acid or derivatives
Carboxylic acid
Monocarboxylic acid or derivatives
Organic nitrogen compound
Organonitrogen compound
Primary aliphatic amine
Organooxygen compound
Primary amine
Hydrocarbon derivative
Carbonyl group
Organic oxide
Amine
Organic oxygen compound
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	-4.54	Extrapolated

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	12.4 g/L	ALOGPS
logP	-3.1	ALOGPS
logP	-4.5	ChemAxon
logS	-1.2	ALOGPS
pKa (Strongest Acidic)	3.58	ChemAxon
pKa (Strongest Basic)	8.23	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	135.51 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	50.41 m³·mol⁻¹	ChemAxon
Polarizability	21.24 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]+	152.279	30932474
DeepCCS	[M-H]-	149.921	30932474
DeepCCS	[M-2H]-	182.837	30932474
DeepCCS	[M+Na]+	158.372	30932474
AllCCS	[M+H]+	148.0	32859911
AllCCS	[M+H-H2O]+	144.5	32859911
AllCCS	[M+NH4]+	151.1	32859911
AllCCS	[M+Na]+	152.1	32859911
AllCCS	[M-H]-	146.3	32859911
AllCCS	[M+Na-2H]-	147.1	32859911
AllCCS	[M+HCOO]-	148.1	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Glutaminylalanine	C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(O)=O	2843.4	Standard polar	33892256
Glutaminylalanine	C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(O)=O	1900.4	Standard non polar	33892256
Glutaminylalanine	C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(O)=O	2340.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Glutaminylalanine,1TMS,isomer #1	C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)O[Si](C)(C)C	2089.7	Semi standard non polar	33892256
Glutaminylalanine,1TMS,isomer #2	C[C@H](NC(=O)[C@H](CCC(N)=O)N[Si](C)(C)C)C(=O)O	2124.5	Semi standard non polar	33892256
Glutaminylalanine,1TMS,isomer #3	C[C@H](NC(=O)[C@@H](N)CCC(=O)N[Si](C)(C)C)C(=O)O	2148.6	Semi standard non polar	33892256
Glutaminylalanine,1TMS,isomer #4	C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(N)=O)[Si](C)(C)C	2105.7	Semi standard non polar	33892256
Glutaminylalanine,2TMS,isomer #1	C[C@H](NC(=O)[C@H](CCC(N)=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2175.0	Semi standard non polar	33892256
Glutaminylalanine,2TMS,isomer #1	C[C@H](NC(=O)[C@H](CCC(N)=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2083.3	Standard non polar	33892256
Glutaminylalanine,2TMS,isomer #2	C[C@H](NC(=O)[C@@H](N)CCC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2182.9	Semi standard non polar	33892256
Glutaminylalanine,2TMS,isomer #2	C[C@H](NC(=O)[C@@H](N)CCC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2116.8	Standard non polar	33892256
Glutaminylalanine,2TMS,isomer #3	C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(N)=O)[Si](C)(C)C	2094.5	Semi standard non polar	33892256
Glutaminylalanine,2TMS,isomer #3	C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(N)=O)[Si](C)(C)C	2069.4	Standard non polar	33892256
Glutaminylalanine,2TMS,isomer #4	C[C@H](NC(=O)[C@H](CCC(=O)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2207.5	Semi standard non polar	33892256
Glutaminylalanine,2TMS,isomer #4	C[C@H](NC(=O)[C@H](CCC(=O)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2179.7	Standard non polar	33892256
Glutaminylalanine,2TMS,isomer #5	C[C@@H](C(=O)O)N(C(=O)[C@H](CCC(N)=O)N[Si](C)(C)C)[Si](C)(C)C	2158.4	Semi standard non polar	33892256
Glutaminylalanine,2TMS,isomer #5	C[C@@H](C(=O)O)N(C(=O)[C@H](CCC(N)=O)N[Si](C)(C)C)[Si](C)(C)C	2095.3	Standard non polar	33892256
Glutaminylalanine,2TMS,isomer #6	C[C@H](NC(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2281.8	Semi standard non polar	33892256
Glutaminylalanine,2TMS,isomer #6	C[C@H](NC(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2162.8	Standard non polar	33892256
Glutaminylalanine,2TMS,isomer #7	C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)N[Si](C)(C)C)[Si](C)(C)C	2139.7	Semi standard non polar	33892256
Glutaminylalanine,2TMS,isomer #7	C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)N[Si](C)(C)C)[Si](C)(C)C	2171.9	Standard non polar	33892256
Glutaminylalanine,2TMS,isomer #8	C[C@H](NC(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2281.9	Semi standard non polar	33892256
Glutaminylalanine,2TMS,isomer #8	C[C@H](NC(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2152.1	Standard non polar	33892256
Glutaminylalanine,3TMS,isomer #1	C[C@H](NC(=O)[C@H](CCC(=O)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2263.9	Semi standard non polar	33892256
Glutaminylalanine,3TMS,isomer #1	C[C@H](NC(=O)[C@H](CCC(=O)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2219.4	Standard non polar	33892256
Glutaminylalanine,3TMS,isomer #10	C[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	2237.7	Semi standard non polar	33892256
Glutaminylalanine,3TMS,isomer #10	C[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	2264.2	Standard non polar	33892256
Glutaminylalanine,3TMS,isomer #2	C[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	2157.0	Semi standard non polar	33892256
Glutaminylalanine,3TMS,isomer #2	C[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	2175.3	Standard non polar	33892256
Glutaminylalanine,3TMS,isomer #3	C[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	2307.6	Semi standard non polar	33892256
Glutaminylalanine,3TMS,isomer #3	C[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	2217.5	Standard non polar	33892256
Glutaminylalanine,3TMS,isomer #4	C[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	2148.2	Semi standard non polar	33892256
Glutaminylalanine,3TMS,isomer #4	C[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	2232.6	Standard non polar	33892256
Glutaminylalanine,3TMS,isomer #5	C[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	2291.2	Semi standard non polar	33892256
Glutaminylalanine,3TMS,isomer #5	C[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	2191.0	Standard non polar	33892256
Glutaminylalanine,3TMS,isomer #6	C[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2190.3	Semi standard non polar	33892256
Glutaminylalanine,3TMS,isomer #6	C[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2265.1	Standard non polar	33892256
Glutaminylalanine,3TMS,isomer #7	C[C@H](NC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2308.4	Semi standard non polar	33892256
Glutaminylalanine,3TMS,isomer #7	C[C@H](NC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2235.9	Standard non polar	33892256
Glutaminylalanine,3TMS,isomer #8	C[C@H](NC(=O)[C@H](CCC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2353.3	Semi standard non polar	33892256
Glutaminylalanine,3TMS,isomer #8	C[C@H](NC(=O)[C@H](CCC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2288.8	Standard non polar	33892256
Glutaminylalanine,3TMS,isomer #9	C[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	2269.7	Semi standard non polar	33892256
Glutaminylalanine,3TMS,isomer #9	C[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	2234.0	Standard non polar	33892256
Glutaminylalanine,4TMS,isomer #1	C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2203.5	Semi standard non polar	33892256
Glutaminylalanine,4TMS,isomer #1	C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2298.7	Standard non polar	33892256
Glutaminylalanine,4TMS,isomer #2	C[C@H](NC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2315.4	Semi standard non polar	33892256
Glutaminylalanine,4TMS,isomer #2	C[C@H](NC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2293.6	Standard non polar	33892256
Glutaminylalanine,4TMS,isomer #3	C[C@H](NC(=O)[C@H](CCC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2355.0	Semi standard non polar	33892256
Glutaminylalanine,4TMS,isomer #3	C[C@H](NC(=O)[C@H](CCC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2336.3	Standard non polar	33892256
Glutaminylalanine,4TMS,isomer #4	C[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	2322.0	Semi standard non polar	33892256
Glutaminylalanine,4TMS,isomer #4	C[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	2299.3	Standard non polar	33892256
Glutaminylalanine,4TMS,isomer #5	C[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	2253.2	Semi standard non polar	33892256
Glutaminylalanine,4TMS,isomer #5	C[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	2320.1	Standard non polar	33892256
Glutaminylalanine,4TMS,isomer #6	C[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	2304.5	Semi standard non polar	33892256
Glutaminylalanine,4TMS,isomer #6	C[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	2340.7	Standard non polar	33892256
Glutaminylalanine,4TMS,isomer #7	C[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2347.8	Semi standard non polar	33892256
Glutaminylalanine,4TMS,isomer #7	C[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2377.7	Standard non polar	33892256
Glutaminylalanine,4TMS,isomer #8	C[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	2451.8	Semi standard non polar	33892256
Glutaminylalanine,4TMS,isomer #8	C[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	2364.1	Standard non polar	33892256
Glutaminylalanine,5TMS,isomer #1	C[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	2321.8	Semi standard non polar	33892256
Glutaminylalanine,5TMS,isomer #1	C[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	2371.1	Standard non polar	33892256
Glutaminylalanine,5TMS,isomer #2	C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2371.5	Semi standard non polar	33892256
Glutaminylalanine,5TMS,isomer #2	C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2399.3	Standard non polar	33892256
Glutaminylalanine,5TMS,isomer #3	C[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	2473.6	Semi standard non polar	33892256
Glutaminylalanine,5TMS,isomer #3	C[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	2416.1	Standard non polar	33892256
Glutaminylalanine,5TMS,isomer #4	C[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	2487.0	Semi standard non polar	33892256
Glutaminylalanine,5TMS,isomer #4	C[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	2459.8	Standard non polar	33892256
Glutaminylalanine,6TMS,isomer #1	C[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	2545.9	Semi standard non polar	33892256
Glutaminylalanine,6TMS,isomer #1	C[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	2487.6	Standard non polar	33892256
Glutaminylalanine,1TBDMS,isomer #1	C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	2346.9	Semi standard non polar	33892256
Glutaminylalanine,1TBDMS,isomer #2	C[C@H](NC(=O)[C@H](CCC(N)=O)N[Si](C)(C)C(C)(C)C)C(=O)O	2383.4	Semi standard non polar	33892256
Glutaminylalanine,1TBDMS,isomer #3	C[C@H](NC(=O)[C@@H](N)CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O	2434.2	Semi standard non polar	33892256
Glutaminylalanine,1TBDMS,isomer #4	C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(N)=O)[Si](C)(C)C(C)(C)C	2354.3	Semi standard non polar	33892256
Glutaminylalanine,2TBDMS,isomer #1	C[C@H](NC(=O)[C@H](CCC(N)=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2639.0	Semi standard non polar	33892256
Glutaminylalanine,2TBDMS,isomer #1	C[C@H](NC(=O)[C@H](CCC(N)=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2495.4	Standard non polar	33892256
Glutaminylalanine,2TBDMS,isomer #2	C[C@H](NC(=O)[C@@H](N)CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2669.7	Semi standard non polar	33892256
Glutaminylalanine,2TBDMS,isomer #2	C[C@H](NC(=O)[C@@H](N)CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2497.9	Standard non polar	33892256
Glutaminylalanine,2TBDMS,isomer #3	C[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	2581.0	Semi standard non polar	33892256
Glutaminylalanine,2TBDMS,isomer #3	C[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	2476.0	Standard non polar	33892256
Glutaminylalanine,2TBDMS,isomer #4	C[C@H](NC(=O)[C@H](CCC(=O)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	2715.0	Semi standard non polar	33892256
Glutaminylalanine,2TBDMS,isomer #4	C[C@H](NC(=O)[C@H](CCC(=O)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	2529.8	Standard non polar	33892256
Glutaminylalanine,2TBDMS,isomer #5	C[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	2636.1	Semi standard non polar	33892256
Glutaminylalanine,2TBDMS,isomer #5	C[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	2498.4	Standard non polar	33892256
Glutaminylalanine,2TBDMS,isomer #6	C[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	2733.3	Semi standard non polar	33892256
Glutaminylalanine,2TBDMS,isomer #6	C[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	2551.2	Standard non polar	33892256
Glutaminylalanine,2TBDMS,isomer #7	C[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	2640.3	Semi standard non polar	33892256
Glutaminylalanine,2TBDMS,isomer #7	C[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	2537.1	Standard non polar	33892256
Glutaminylalanine,2TBDMS,isomer #8	C[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	2754.7	Semi standard non polar	33892256
Glutaminylalanine,2TBDMS,isomer #8	C[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	2529.5	Standard non polar	33892256
Glutaminylalanine,3TBDMS,isomer #1	C[C@H](NC(=O)[C@H](CCC(=O)N[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	2924.5	Semi standard non polar	33892256
Glutaminylalanine,3TBDMS,isomer #1	C[C@H](NC(=O)[C@H](CCC(=O)N[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	2752.3	Standard non polar	33892256
Glutaminylalanine,3TBDMS,isomer #10	C[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	2917.8	Semi standard non polar	33892256
Glutaminylalanine,3TBDMS,isomer #10	C[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	2800.7	Standard non polar	33892256
Glutaminylalanine,3TBDMS,isomer #2	C[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	2848.0	Semi standard non polar	33892256
Glutaminylalanine,3TBDMS,isomer #2	C[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	2747.0	Standard non polar	33892256
Glutaminylalanine,3TBDMS,isomer #3	C[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	2978.6	Semi standard non polar	33892256
Glutaminylalanine,3TBDMS,isomer #3	C[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	2773.4	Standard non polar	33892256
Glutaminylalanine,3TBDMS,isomer #4	C[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	2844.1	Semi standard non polar	33892256
Glutaminylalanine,3TBDMS,isomer #4	C[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	2771.6	Standard non polar	33892256
Glutaminylalanine,3TBDMS,isomer #5	C[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	2959.3	Semi standard non polar	33892256
Glutaminylalanine,3TBDMS,isomer #5	C[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	2767.1	Standard non polar	33892256
Glutaminylalanine,3TBDMS,isomer #6	C[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2904.8	Semi standard non polar	33892256
Glutaminylalanine,3TBDMS,isomer #6	C[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2757.5	Standard non polar	33892256
Glutaminylalanine,3TBDMS,isomer #7	C[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)C(=O)O	2994.7	Semi standard non polar	33892256
Glutaminylalanine,3TBDMS,isomer #7	C[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)C(=O)O	2786.2	Standard non polar	33892256
Glutaminylalanine,3TBDMS,isomer #8	C[C@H](NC(=O)[C@H](CCC(=O)N[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	3036.1	Semi standard non polar	33892256
Glutaminylalanine,3TBDMS,isomer #8	C[C@H](NC(=O)[C@H](CCC(=O)N[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	2795.4	Standard non polar	33892256
Glutaminylalanine,3TBDMS,isomer #9	C[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	2964.7	Semi standard non polar	33892256
Glutaminylalanine,3TBDMS,isomer #9	C[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	2786.1	Standard non polar	33892256
Glutaminylalanine,4TBDMS,isomer #1	C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCC(=O)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3094.9	Semi standard non polar	33892256
Glutaminylalanine,4TBDMS,isomer #1	C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCC(=O)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2956.0	Standard non polar	33892256
Glutaminylalanine,4TBDMS,isomer #2	C[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)C(=O)O[Si](C)(C)C(C)(C)C	3196.9	Semi standard non polar	33892256
Glutaminylalanine,4TBDMS,isomer #2	C[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)C(=O)O[Si](C)(C)C(C)(C)C	2988.4	Standard non polar	33892256
Glutaminylalanine,4TBDMS,isomer #3	C[C@H](NC(=O)[C@H](CCC(=O)N[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	3269.6	Semi standard non polar	33892256
Glutaminylalanine,4TBDMS,isomer #3	C[C@H](NC(=O)[C@H](CCC(=O)N[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	2997.1	Standard non polar	33892256
Glutaminylalanine,4TBDMS,isomer #4	C[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	3190.1	Semi standard non polar	33892256
Glutaminylalanine,4TBDMS,isomer #4	C[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	3007.2	Standard non polar	33892256
Glutaminylalanine,4TBDMS,isomer #5	C[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	3133.4	Semi standard non polar	33892256
Glutaminylalanine,4TBDMS,isomer #5	C[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	3014.4	Standard non polar	33892256
Glutaminylalanine,4TBDMS,isomer #6	C[C@@H](C(=O)O)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	3200.8	Semi standard non polar	33892256
Glutaminylalanine,4TBDMS,isomer #6	C[C@@H](C(=O)O)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	3006.9	Standard non polar	33892256
Glutaminylalanine,4TBDMS,isomer #7	C[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)N[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	3228.4	Semi standard non polar	33892256
Glutaminylalanine,4TBDMS,isomer #7	C[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)N[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	3014.3	Standard non polar	33892256
Glutaminylalanine,4TBDMS,isomer #8	C[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	3324.8	Semi standard non polar	33892256
Glutaminylalanine,4TBDMS,isomer #8	C[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	3054.3	Standard non polar	33892256
Glutaminylalanine,5TBDMS,isomer #1	C[C@@H](C(=O)O[Si](C)(C)C(C)(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	3388.9	Semi standard non polar	33892256
Glutaminylalanine,5TBDMS,isomer #1	C[C@@H](C(=O)O[Si](C)(C)C(C)(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	3187.0	Standard non polar	33892256
Glutaminylalanine,5TBDMS,isomer #2	C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCC(=O)N[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	3432.4	Semi standard non polar	33892256
Glutaminylalanine,5TBDMS,isomer #2	C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCC(=O)N[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	3199.3	Standard non polar	33892256
Glutaminylalanine,5TBDMS,isomer #3	C[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[Si](C)(C)C(C)(C)C	3546.2	Semi standard non polar	33892256
Glutaminylalanine,5TBDMS,isomer #3	C[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[Si](C)(C)C(C)(C)C	3227.6	Standard non polar	33892256
Glutaminylalanine,5TBDMS,isomer #4	C[C@@H](C(=O)O)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)[Si](C)(C)C(C)(C)C	3524.8	Semi standard non polar	33892256
Glutaminylalanine,5TBDMS,isomer #4	C[C@@H](C(=O)O)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)[Si](C)(C)C(C)(C)C	3261.5	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Glutaminylalanine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutaminylalanine 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 - Glutaminylalanine 10V, Positive-QTOF	splash10-0udi-2890000000-0cb88cc40cf137862977	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylalanine 20V, Positive-QTOF	splash10-0f8c-9810000000-6640d414fd533dadb2ca	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylalanine 40V, Positive-QTOF	splash10-0a4l-9000000000-7622d066d02dd52ab6f0	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylalanine 10V, Negative-QTOF	splash10-014i-1590000000-33a961fbe03978a2f646	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylalanine 20V, Negative-QTOF	splash10-00rm-9820000000-603bfcd3af1d83510276	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylalanine 40V, Negative-QTOF	splash10-006x-9100000000-7ef36e004412d11d152c	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylalanine 10V, Positive-QTOF	splash10-0gdl-6890000000-a76b63d70eb1f170c05b	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylalanine 20V, Positive-QTOF	splash10-001i-9200000000-1e56e4519fef31b6966b	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylalanine 40V, Positive-QTOF	splash10-0a5i-9100000000-86995538c07f348eba1d	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylalanine 10V, Negative-QTOF	splash10-014i-0690000000-e071456e83fdc4218bac	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylalanine 20V, Negative-QTOF	splash10-000l-9600000000-0d8595dfb456afd6018d	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylalanine 40V, Negative-QTOF	splash10-0006-9000000000-e388ce195a49cf5b70a2	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)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	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

FDB111839

KNApSAcK ID

Not Available

Chemspider ID

7988961

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

9813211

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Kee AJ, Smith RC, Gross AS, Madsen DC, Rowe B: The effect of dipeptide structure on dipeptide and amino acid clearance in rats. Metabolism. 1994 Nov;43(11):1373-8. [PubMed:7968592 ]

Showing metabocard for Glutaminylalanine (HMDB0028790)

MOL for HMDB0028790 (Glutaminylalanine)

3D MOL for HMDB0028790 (Glutaminylalanine)

3D SDF for HMDB0028790 (Glutaminylalanine)

3D-SDF for HMDB0028790 (Glutaminylalanine)

PDB for HMDB0028790 (Glutaminylalanine)

3D PDB for HMDB0028790 (Glutaminylalanine)

SMILES for HMDB0028790 (Glutaminylalanine)

INCHI for HMDB0028790 (Glutaminylalanine)

Structure for HMDB0028790 (Glutaminylalanine)

3D Structure for HMDB0028790 (Glutaminylalanine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra