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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-06 21:02:43 UTC

Update Date

2023-02-21 17:18:36 UTC

HMDB ID

HMDB0028846

Secondary Accession Numbers

HMDB28846

Metabolite Identification

Common Name

Glycyl-Lysine

Description

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

Structure

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

HMDB0252885
     RDKit          3D
Gly-lys
 31 30  0  0  0  0  0  0  0  0999 V2000
   -4.5919   -1.4847    0.4771 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7723   -0.3980   -0.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4635   -0.3415    0.7638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5934    0.6974    0.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1555    0.3520    0.6021 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8141    1.0057   -0.3545 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1776    0.7254   -0.2115 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6622   -0.6166   -0.1754 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8820   -1.6180   -0.2688 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1128   -0.9275   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3485   -2.3761    0.1420 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4835    2.3219   -0.8439 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2224    2.5599   -2.0860 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4465    3.4361    0.0287 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1802   -1.7775   -0.3677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8975   -2.3324    0.5997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5428   -0.6079   -1.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3306    0.5183    0.0629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7352    0.1143    1.7724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0221   -1.2863    0.9861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8465    1.7223    0.4275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5702    0.6199   -0.9853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0879    0.6467    1.6457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1627   -0.7874    0.4716 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5596    0.2908   -1.3122 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8837    1.5217   -0.1355 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5846   -0.6082   -0.9181 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5714   -0.3558    0.8515 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5571   -2.8063   -0.2959 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3009   -2.5812    1.1702 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3457    4.3729   -0.4783 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
  6 12  1  0
 12 13  2  0
 12 14  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  2 18  1  0
  3 19  1  0
  3 20  1  0
  4 21  1  0
  4 22  1  0
  5 23  1  0
  5 24  1  0
  6 25  1  0
  7 26  1  0
 10 27  1  0
 10 28  1  0
 11 29  1  0
 11 30  1  0
 14 31  1  0
M  END

  Mrv1652304062013422D          

 14 13  0  0  0  0            999 V2000
    2.2836    2.1434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704    2.1434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    3.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138    2.5559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    3.3809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704    3.7934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    3.7934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0028846

> <DATABASE_NAME>
hmdb

> <SMILES>
NCCCCC(NC(=O)CN)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C8H17N3O3/c9-4-2-1-3-6(8(13)14)11-7(12)5-10/h6H,1-5,9-10H2,(H,11,12)(H,13,14)

> <INCHI_KEY>
IKAIKUBBJHFNBZ-UHFFFAOYSA-N

> <FORMULA>
C8H17N3O3

> <MOLECULAR_WEIGHT>
203.2389

> <EXACT_MASS>
203.126991425

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
31

> <JCHEM_AVERAGE_POLARIZABILITY>
21.343963785651724

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-amino-2-(2-aminoacetamido)hexanoic acid

> <ALOGPS_LOGP>
-3.41

> <JCHEM_LOGP>
-4.155635403639274

> <ALOGPS_LOGS>
-1.08

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
13.953077515820002

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.7970224995081048

> <JCHEM_PKA_STRONGEST_BASIC>
10.209015254903969

> <JCHEM_POLAR_SURFACE_AREA>
118.44

> <JCHEM_REFRACTIVITY>
50.613

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.68e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-amino-2-(2-aminoacetamido)hexanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0252885
     RDKit          3D
Gly-lys
 31 30  0  0  0  0  0  0  0  0999 V2000
   -4.5919   -1.4847    0.4771 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7723   -0.3980   -0.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4635   -0.3415    0.7638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5934    0.6974    0.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1555    0.3520    0.6021 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8141    1.0057   -0.3545 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1776    0.7254   -0.2115 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6622   -0.6166   -0.1754 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8820   -1.6180   -0.2688 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1128   -0.9275   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3485   -2.3761    0.1420 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4835    2.3219   -0.8439 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2224    2.5599   -2.0860 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4465    3.4361    0.0287 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1802   -1.7775   -0.3677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8975   -2.3324    0.5997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5428   -0.6079   -1.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3306    0.5183    0.0629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7352    0.1143    1.7724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0221   -1.2863    0.9861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8465    1.7223    0.4275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5702    0.6199   -0.9853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0879    0.6467    1.6457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1627   -0.7874    0.4716 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5596    0.2908   -1.3122 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8837    1.5217   -0.1355 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5846   -0.6082   -0.9181 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5714   -0.3558    0.8515 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5571   -2.8063   -0.2959 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3009   -2.5812    1.1702 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3457    4.3729   -0.4783 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
  6 12  1  0
 12 13  2  0
 12 14  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  2 18  1  0
  3 19  1  0
  3 20  1  0
  4 21  1  0
  4 22  1  0
  5 23  1  0
  5 24  1  0
  6 25  1  0
  7 26  1  0
 10 27  1  0
 10 28  1  0
 11 29  1  0
 11 30  1  0
 14 31  1  0
M  END

HEADER    PROTEIN                                 06-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-APR-20         0                                  
HETATM    1  N   UNK     0       4.263   4.001   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       5.596   4.771   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.930   4.001   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.264   4.771   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       9.597   4.001   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      10.931   4.771   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0      12.265   4.001   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0      13.598   4.771   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      13.598   6.311   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      14.932   4.001   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0      16.266   4.771   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0      10.931   6.311   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      12.265   7.081   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       9.597   7.081   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   12                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10                                                            
CONECT   12    6   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
MASTER        0    0    0    0    0    0    0    0   14    0   26    0
END

COMPND    HMDB0252885
HETATM    1  N1  UNL     1      -4.592  -1.485   0.477  1.00  0.00           N  
HETATM    2  C1  UNL     1      -3.772  -0.398  -0.023  1.00  0.00           C  
HETATM    3  C2  UNL     1      -2.463  -0.341   0.764  1.00  0.00           C  
HETATM    4  C3  UNL     1      -1.593   0.697   0.064  1.00  0.00           C  
HETATM    5  C4  UNL     1      -0.156   0.352   0.602  1.00  0.00           C  
HETATM    6  C5  UNL     1       0.814   1.006  -0.354  1.00  0.00           C  
HETATM    7  N2  UNL     1       2.178   0.725  -0.212  1.00  0.00           N  
HETATM    8  C6  UNL     1       2.662  -0.617  -0.175  1.00  0.00           C  
HETATM    9  O1  UNL     1       1.882  -1.618  -0.269  1.00  0.00           O  
HETATM   10  C7  UNL     1       4.113  -0.927  -0.000  1.00  0.00           C  
HETATM   11  N3  UNL     1       4.349  -2.376   0.142  1.00  0.00           N  
HETATM   12  C8  UNL     1       0.483   2.322  -0.844  1.00  0.00           C  
HETATM   13  O2  UNL     1       0.222   2.560  -2.086  1.00  0.00           O  
HETATM   14  O3  UNL     1       0.447   3.436   0.029  1.00  0.00           O  
HETATM   15  H1  UNL     1      -5.180  -1.777  -0.368  1.00  0.00           H  
HETATM   16  H2  UNL     1      -3.898  -2.332   0.600  1.00  0.00           H  
HETATM   17  H3  UNL     1      -3.543  -0.608  -1.073  1.00  0.00           H  
HETATM   18  H4  UNL     1      -4.331   0.518   0.063  1.00  0.00           H  
HETATM   19  H5  UNL     1      -2.735   0.114   1.772  1.00  0.00           H  
HETATM   20  H6  UNL     1      -2.022  -1.286   0.986  1.00  0.00           H  
HETATM   21  H7  UNL     1      -1.847   1.722   0.427  1.00  0.00           H  
HETATM   22  H8  UNL     1      -1.570   0.620  -0.985  1.00  0.00           H  
HETATM   23  H9  UNL     1      -0.088   0.647   1.646  1.00  0.00           H  
HETATM   24  H10 UNL     1      -0.163  -0.787   0.472  1.00  0.00           H  
HETATM   25  H11 UNL     1       0.560   0.291  -1.312  1.00  0.00           H  
HETATM   26  H12 UNL     1       2.884   1.522  -0.136  1.00  0.00           H  
HETATM   27  H13 UNL     1       4.585  -0.608  -0.918  1.00  0.00           H  
HETATM   28  H14 UNL     1       4.571  -0.356   0.852  1.00  0.00           H  
HETATM   29  H15 UNL     1       3.557  -2.806  -0.296  1.00  0.00           H  
HETATM   30  H16 UNL     1       4.301  -2.581   1.170  1.00  0.00           H  
HETATM   31  H17 UNL     1       0.346   4.373  -0.478  1.00  0.00           H  
CONECT    1    2   15   16
CONECT    2    3   17   18
CONECT    3    4   19   20
CONECT    4    5   21   22
CONECT    5    6   23   24
CONECT    6    7   12   25
CONECT    7    8   26
CONECT    8    9    9   10
CONECT   10   11   27   28
CONECT   11   29   30
CONECT   12   13   13   14
CONECT   14   31
END

HMDB0252885
     RDKit          3D
Gly-lys
 31 30  0  0  0  0  0  0  0  0999 V2000
   -4.5919   -1.4847    0.4771 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7723   -0.3980   -0.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4635   -0.3415    0.7638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5934    0.6974    0.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1555    0.3520    0.6021 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8141    1.0057   -0.3545 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1776    0.7254   -0.2115 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6622   -0.6166   -0.1754 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8820   -1.6180   -0.2688 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1128   -0.9275   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3485   -2.3761    0.1420 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4835    2.3219   -0.8439 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2224    2.5599   -2.0860 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4465    3.4361    0.0287 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1802   -1.7775   -0.3677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8975   -2.3324    0.5997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5428   -0.6079   -1.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3306    0.5183    0.0629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7352    0.1143    1.7724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0221   -1.2863    0.9861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8465    1.7223    0.4275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5702    0.6199   -0.9853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0879    0.6467    1.6457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1627   -0.7874    0.4716 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5596    0.2908   -1.3122 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8837    1.5217   -0.1355 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5846   -0.6082   -0.9181 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5714   -0.3558    0.8515 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5571   -2.8063   -0.2959 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3009   -2.5812    1.1702 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3457    4.3729   -0.4783 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
  6 12  1  0
 12 13  2  0
 12 14  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  2 18  1  0
  3 19  1  0
  3 20  1  0
  4 21  1  0
  4 22  1  0
  5 23  1  0
  5 24  1  0
  6 25  1  0
  7 26  1  0
 10 27  1  0
 10 28  1  0
 11 29  1  0
 11 30  1  0
 14 31  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Gly-lys	MeSH
Glycyl-L-lysine	MeSH
g-K Dipeptide	HMDB
GK Dipeptide	HMDB
Glycine lysine dipeptide	HMDB
Glycine-lysine dipeptide	HMDB
Glycyllysine	HMDB
L-Glycyl-L-lysine	HMDB
6-Amino-2-[(2-amino-1-hydroxyethylidene)amino]hexanoate	Generator, HMDB

Chemical Formula

C₈H₁₇N₃O₃

Average Molecular Weight

203.2389

Monoisotopic Molecular Weight

203.126991425

IUPAC Name

6-amino-2-(2-aminoacetamido)hexanoic acid

Traditional Name

6-amino-2-(2-aminoacetamido)hexanoic acid

CAS Registry Number

Not Available

SMILES

NCCCCC(NC(=O)CN)C(O)=O

InChI Identifier

InChI=1S/C8H17N3O3/c9-4-2-1-3-6(8(13)14)11-7(12)5-10/h6H,1-5,9-10H2,(H,11,12)(H,13,14)

InChI Key

IKAIKUBBJHFNBZ-UHFFFAOYSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Dipeptides

Alternative Parents

Substituents

Alpha-dipeptide
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Alpha-amino acid or derivatives
Medium-chain fatty acid
Amino fatty acid
Fatty acyl
Fatty acid
Amino acid or derivatives
Amino acid
Carboxamide group
Secondary carboxylic acid amide
Carboxylic acid
Monocarboxylic acid or derivatives
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Primary aliphatic amine
Primary amine
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organopnictogen compound
Amine
Organic oxygen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Endogenous (HMDB: HMDB0028846)

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	-4.2	Extrapolated

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	16.8 g/L	ALOGPS
logP	-3.4	ALOGPS
logP	-4.2	ChemAxon
logS	-1.1	ALOGPS
pKa (Strongest Acidic)	3.8	ChemAxon
pKa (Strongest Basic)	10.21	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	118.44 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	50.61 m³·mol⁻¹	ChemAxon
Polarizability	21.34 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
DarkChem	[M+H]+	149.093	31661259
DarkChem	[M-H]-	144.626	31661259
DeepCCS	[M+H]+	143.644	30932474
DeepCCS	[M-H]-	139.726	30932474
DeepCCS	[M-2H]-	177.295	30932474
DeepCCS	[M+Na]+	152.96	30932474
AllCCS	[M+H]+	143.7	32859911
AllCCS	[M+H-H2O]+	140.2	32859911
AllCCS	[M+NH4]+	147.0	32859911
AllCCS	[M+Na]+	148.0	32859911
AllCCS	[M-H]-	143.2	32859911
AllCCS	[M+Na-2H]-	144.1	32859911
AllCCS	[M+HCOO]-	145.2	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Glycyl-Lysine	NCCCCC(NC(=O)CN)C(O)=O	2760.2	Standard polar	33892256
Glycyl-Lysine	NCCCCC(NC(=O)CN)C(O)=O	1961.7	Standard non polar	33892256
Glycyl-Lysine	NCCCCC(NC(=O)CN)C(O)=O	2036.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Glycyl-Lysine,1TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCCCN)NC(=O)CN	2026.7	Semi standard non polar	33892256
Glycyl-Lysine,1TMS,isomer #2	C[Si](C)(C)NCCCCC(NC(=O)CN)C(=O)O	2133.4	Semi standard non polar	33892256
Glycyl-Lysine,1TMS,isomer #3	C[Si](C)(C)NCC(=O)NC(CCCCN)C(=O)O	2081.8	Semi standard non polar	33892256
Glycyl-Lysine,1TMS,isomer #4	C[Si](C)(C)N(C(=O)CN)C(CCCCN)C(=O)O	2007.3	Semi standard non polar	33892256
Glycyl-Lysine,2TMS,isomer #1	C[Si](C)(C)NCCCCC(NC(=O)CN)C(=O)O[Si](C)(C)C	2170.9	Semi standard non polar	33892256
Glycyl-Lysine,2TMS,isomer #1	C[Si](C)(C)NCCCCC(NC(=O)CN)C(=O)O[Si](C)(C)C	2039.9	Standard non polar	33892256
Glycyl-Lysine,2TMS,isomer #2	C[Si](C)(C)NCC(=O)NC(CCCCN)C(=O)O[Si](C)(C)C	2123.5	Semi standard non polar	33892256
Glycyl-Lysine,2TMS,isomer #2	C[Si](C)(C)NCC(=O)NC(CCCCN)C(=O)O[Si](C)(C)C	2106.9	Standard non polar	33892256
Glycyl-Lysine,2TMS,isomer #3	C[Si](C)(C)OC(=O)C(CCCCN)N(C(=O)CN)[Si](C)(C)C	1985.6	Semi standard non polar	33892256
Glycyl-Lysine,2TMS,isomer #3	C[Si](C)(C)OC(=O)C(CCCCN)N(C(=O)CN)[Si](C)(C)C	2014.3	Standard non polar	33892256
Glycyl-Lysine,2TMS,isomer #4	C[Si](C)(C)NCCCCC(NC(=O)CN[Si](C)(C)C)C(=O)O	2231.9	Semi standard non polar	33892256
Glycyl-Lysine,2TMS,isomer #4	C[Si](C)(C)NCCCCC(NC(=O)CN[Si](C)(C)C)C(=O)O	2203.3	Standard non polar	33892256
Glycyl-Lysine,2TMS,isomer #5	C[Si](C)(C)N(CCCCC(NC(=O)CN)C(=O)O)[Si](C)(C)C	2317.8	Semi standard non polar	33892256
Glycyl-Lysine,2TMS,isomer #5	C[Si](C)(C)N(CCCCC(NC(=O)CN)C(=O)O)[Si](C)(C)C	2159.5	Standard non polar	33892256
Glycyl-Lysine,2TMS,isomer #6	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)CN)[Si](C)(C)C	2103.2	Semi standard non polar	33892256
Glycyl-Lysine,2TMS,isomer #6	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)CN)[Si](C)(C)C	2142.6	Standard non polar	33892256
Glycyl-Lysine,2TMS,isomer #7	C[Si](C)(C)N(CC(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C	2254.0	Semi standard non polar	33892256
Glycyl-Lysine,2TMS,isomer #7	C[Si](C)(C)N(CC(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C	2248.3	Standard non polar	33892256
Glycyl-Lysine,2TMS,isomer #8	C[Si](C)(C)NCC(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C	2073.5	Semi standard non polar	33892256
Glycyl-Lysine,2TMS,isomer #8	C[Si](C)(C)NCC(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C	2122.3	Standard non polar	33892256
Glycyl-Lysine,3TMS,isomer #1	C[Si](C)(C)NCCCCC(NC(=O)CN[Si](C)(C)C)C(=O)O[Si](C)(C)C	2241.8	Semi standard non polar	33892256
Glycyl-Lysine,3TMS,isomer #1	C[Si](C)(C)NCCCCC(NC(=O)CN[Si](C)(C)C)C(=O)O[Si](C)(C)C	2198.7	Standard non polar	33892256
Glycyl-Lysine,3TMS,isomer #10	C[Si](C)(C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)O	2222.6	Semi standard non polar	33892256
Glycyl-Lysine,3TMS,isomer #10	C[Si](C)(C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)O	2258.2	Standard non polar	33892256
Glycyl-Lysine,3TMS,isomer #2	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)CN	2328.5	Semi standard non polar	33892256
Glycyl-Lysine,3TMS,isomer #2	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)CN	2174.5	Standard non polar	33892256
Glycyl-Lysine,3TMS,isomer #3	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)CN)[Si](C)(C)C	2102.9	Semi standard non polar	33892256
Glycyl-Lysine,3TMS,isomer #3	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)CN)[Si](C)(C)C	2166.9	Standard non polar	33892256
Glycyl-Lysine,3TMS,isomer #4	C[Si](C)(C)OC(=O)C(CCCCN)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C	2277.0	Semi standard non polar	33892256
Glycyl-Lysine,3TMS,isomer #4	C[Si](C)(C)OC(=O)C(CCCCN)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C	2265.5	Standard non polar	33892256
Glycyl-Lysine,3TMS,isomer #5	C[Si](C)(C)NCC(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2091.6	Semi standard non polar	33892256
Glycyl-Lysine,3TMS,isomer #5	C[Si](C)(C)NCC(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2183.8	Standard non polar	33892256
Glycyl-Lysine,3TMS,isomer #6	C[Si](C)(C)NCC(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2391.0	Semi standard non polar	33892256
Glycyl-Lysine,3TMS,isomer #6	C[Si](C)(C)NCC(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2296.4	Standard non polar	33892256
Glycyl-Lysine,3TMS,isomer #7	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C	2194.8	Semi standard non polar	33892256
Glycyl-Lysine,3TMS,isomer #7	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C	2278.9	Standard non polar	33892256
Glycyl-Lysine,3TMS,isomer #8	C[Si](C)(C)NCCCCC(NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2410.4	Semi standard non polar	33892256
Glycyl-Lysine,3TMS,isomer #8	C[Si](C)(C)NCCCCC(NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2367.9	Standard non polar	33892256
Glycyl-Lysine,3TMS,isomer #9	C[Si](C)(C)N(C(=O)CN)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2261.3	Semi standard non polar	33892256
Glycyl-Lysine,3TMS,isomer #9	C[Si](C)(C)N(C(=O)CN)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2258.0	Standard non polar	33892256
Glycyl-Lysine,4TMS,isomer #1	C[Si](C)(C)NCC(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2380.6	Semi standard non polar	33892256
Glycyl-Lysine,4TMS,isomer #1	C[Si](C)(C)NCC(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2285.4	Standard non polar	33892256
Glycyl-Lysine,4TMS,isomer #2	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C	2161.1	Semi standard non polar	33892256
Glycyl-Lysine,4TMS,isomer #2	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C	2296.4	Standard non polar	33892256
Glycyl-Lysine,4TMS,isomer #3	C[Si](C)(C)NCCCCC(NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2371.3	Semi standard non polar	33892256
Glycyl-Lysine,4TMS,isomer #3	C[Si](C)(C)NCCCCC(NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2348.5	Standard non polar	33892256
Glycyl-Lysine,4TMS,isomer #4	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)CN)[Si](C)(C)C	2261.1	Semi standard non polar	33892256
Glycyl-Lysine,4TMS,isomer #4	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)CN)[Si](C)(C)C	2274.6	Standard non polar	33892256
Glycyl-Lysine,4TMS,isomer #5	C[Si](C)(C)OC(=O)C(CCCCN)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2252.2	Semi standard non polar	33892256
Glycyl-Lysine,4TMS,isomer #5	C[Si](C)(C)OC(=O)C(CCCCN)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2316.5	Standard non polar	33892256
Glycyl-Lysine,4TMS,isomer #6	C[Si](C)(C)N(CCCCC(NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2558.7	Semi standard non polar	33892256
Glycyl-Lysine,4TMS,isomer #6	C[Si](C)(C)N(CCCCC(NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2448.6	Standard non polar	33892256
Glycyl-Lysine,4TMS,isomer #7	C[Si](C)(C)NCC(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2349.4	Semi standard non polar	33892256
Glycyl-Lysine,4TMS,isomer #7	C[Si](C)(C)NCC(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2363.5	Standard non polar	33892256
Glycyl-Lysine,4TMS,isomer #8	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2332.1	Semi standard non polar	33892256
Glycyl-Lysine,4TMS,isomer #8	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2405.7	Standard non polar	33892256
Glycyl-Lysine,5TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C	2563.1	Semi standard non polar	33892256
Glycyl-Lysine,5TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C	2436.2	Standard non polar	33892256
Glycyl-Lysine,5TMS,isomer #2	C[Si](C)(C)NCC(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2341.7	Semi standard non polar	33892256
Glycyl-Lysine,5TMS,isomer #2	C[Si](C)(C)NCC(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2375.6	Standard non polar	33892256
Glycyl-Lysine,5TMS,isomer #3	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2338.6	Semi standard non polar	33892256
Glycyl-Lysine,5TMS,isomer #3	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2413.9	Standard non polar	33892256
Glycyl-Lysine,5TMS,isomer #4	C[Si](C)(C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2526.9	Semi standard non polar	33892256
Glycyl-Lysine,5TMS,isomer #4	C[Si](C)(C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2489.2	Standard non polar	33892256
Glycyl-Lysine,6TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2572.6	Semi standard non polar	33892256
Glycyl-Lysine,6TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2495.0	Standard non polar	33892256
Glycyl-Lysine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN)NC(=O)CN	2291.3	Semi standard non polar	33892256
Glycyl-Lysine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)CN)C(=O)O	2392.3	Semi standard non polar	33892256
Glycyl-Lysine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCC(=O)NC(CCCCN)C(=O)O	2338.5	Semi standard non polar	33892256
Glycyl-Lysine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(=O)CN)C(CCCCN)C(=O)O	2269.3	Semi standard non polar	33892256
Glycyl-Lysine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)CN)C(=O)O[Si](C)(C)C(C)(C)C	2664.2	Semi standard non polar	33892256
Glycyl-Lysine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)CN)C(=O)O[Si](C)(C)C(C)(C)C	2435.7	Standard non polar	33892256
Glycyl-Lysine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCC(=O)NC(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	2596.9	Semi standard non polar	33892256
Glycyl-Lysine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCC(=O)NC(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	2504.8	Standard non polar	33892256
Glycyl-Lysine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN)N(C(=O)CN)[Si](C)(C)C(C)(C)C	2489.7	Semi standard non polar	33892256
Glycyl-Lysine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN)N(C(=O)CN)[Si](C)(C)C(C)(C)C	2398.5	Standard non polar	33892256
Glycyl-Lysine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)CN[Si](C)(C)C(C)(C)C)C(=O)O	2729.8	Semi standard non polar	33892256
Glycyl-Lysine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)CN[Si](C)(C)C(C)(C)C)C(=O)O	2558.6	Standard non polar	33892256
Glycyl-Lysine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(CCCCC(NC(=O)CN)C(=O)O)[Si](C)(C)C(C)(C)C	2777.2	Semi standard non polar	33892256
Glycyl-Lysine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(CCCCC(NC(=O)CN)C(=O)O)[Si](C)(C)C(C)(C)C	2510.8	Standard non polar	33892256
Glycyl-Lysine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)CN)[Si](C)(C)C(C)(C)C	2633.9	Semi standard non polar	33892256
Glycyl-Lysine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)CN)[Si](C)(C)C(C)(C)C	2494.6	Standard non polar	33892256
Glycyl-Lysine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(CC(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	2709.8	Semi standard non polar	33892256
Glycyl-Lysine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(CC(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	2566.4	Standard non polar	33892256
Glycyl-Lysine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	2575.7	Semi standard non polar	33892256
Glycyl-Lysine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	2508.1	Standard non polar	33892256
Glycyl-Lysine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)CN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2905.5	Semi standard non polar	33892256
Glycyl-Lysine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)CN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2743.8	Standard non polar	33892256
Glycyl-Lysine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CCCCN)C(=O)O	2899.0	Semi standard non polar	33892256
Glycyl-Lysine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CCCCN)C(=O)O	2768.1	Standard non polar	33892256
Glycyl-Lysine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)CN	3013.1	Semi standard non polar	33892256
Glycyl-Lysine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)CN	2729.1	Standard non polar	33892256
Glycyl-Lysine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CN)[Si](C)(C)C(C)(C)C	2816.3	Semi standard non polar	33892256
Glycyl-Lysine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CN)[Si](C)(C)C(C)(C)C	2703.9	Standard non polar	33892256
Glycyl-Lysine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2960.5	Semi standard non polar	33892256
Glycyl-Lysine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2776.4	Standard non polar	33892256
Glycyl-Lysine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2801.3	Semi standard non polar	33892256
Glycyl-Lysine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2720.5	Standard non polar	33892256
Glycyl-Lysine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCC(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3065.3	Semi standard non polar	33892256
Glycyl-Lysine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCC(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2818.0	Standard non polar	33892256
Glycyl-Lysine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2923.8	Semi standard non polar	33892256
Glycyl-Lysine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2773.4	Standard non polar	33892256
Glycyl-Lysine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3097.1	Semi standard non polar	33892256
Glycyl-Lysine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2832.1	Standard non polar	33892256
Glycyl-Lysine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C(=O)CN)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2940.4	Semi standard non polar	33892256
Glycyl-Lysine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C(=O)CN)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2739.7	Standard non polar	33892256
Glycyl-Lysine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCC(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3262.2	Semi standard non polar	33892256
Glycyl-Lysine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCC(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2985.0	Standard non polar	33892256
Glycyl-Lysine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3094.8	Semi standard non polar	33892256
Glycyl-Lysine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2949.2	Standard non polar	33892256
Glycyl-Lysine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3290.5	Semi standard non polar	33892256
Glycyl-Lysine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3012.1	Standard non polar	33892256
Glycyl-Lysine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CN)[Si](C)(C)C(C)(C)C	3157.9	Semi standard non polar	33892256
Glycyl-Lysine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CN)[Si](C)(C)C(C)(C)C	2946.5	Standard non polar	33892256
Glycyl-Lysine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3139.3	Semi standard non polar	33892256
Glycyl-Lysine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2983.7	Standard non polar	33892256
Glycyl-Lysine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(CCCCC(NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3398.9	Semi standard non polar	33892256
Glycyl-Lysine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(CCCCC(NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3082.4	Standard non polar	33892256
Glycyl-Lysine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3226.0	Semi standard non polar	33892256
Glycyl-Lysine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3004.8	Standard non polar	33892256
Glycyl-Lysine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3248.8	Semi standard non polar	33892256
Glycyl-Lysine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3025.0	Standard non polar	33892256
Glycyl-Lysine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3602.1	Semi standard non polar	33892256
Glycyl-Lysine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3229.4	Standard non polar	33892256
Glycyl-Lysine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3429.4	Semi standard non polar	33892256
Glycyl-Lysine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCC(=O)N(C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3162.3	Standard non polar	33892256
Glycyl-Lysine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3452.0	Semi standard non polar	33892256
Glycyl-Lysine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3189.3	Standard non polar	33892256
Glycyl-Lysine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3564.2	Semi standard non polar	33892256
Glycyl-Lysine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3245.6	Standard non polar	33892256
Glycyl-Lysine,6TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3786.1	Semi standard non polar	33892256
Glycyl-Lysine,6TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3415.1	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Glycyl-Lysine GC-MS (Non-derivatized) - 70eV, Positive	splash10-053r-9200000000-8134a1afa2afaa3f6670	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycyl-Lysine GC-MS (1 TMS) - 70eV, Positive	splash10-001i-9520000000-7444d485d8daf6d60b97	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycyl-Lysine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycyl-Lysine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycyl-Lysine GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycyl-Lysine GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycyl-Lysine GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycyl-Lysine GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycyl-Lysine GC-MS (TBDMS_1_2) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycyl-Lysine GC-MS (TBDMS_1_3) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycyl-Lysine GC-MS (TBDMS_1_4) - 70eV, Positive	Not Available	2021-11-04	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 - Glycyl-Lysine 10V, Positive-QTOF	splash10-0k9i-2940000000-5301b0c39a92d26faa73	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Lysine 20V, Positive-QTOF	splash10-0pc0-7900000000-92d711f308248d1200ec	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Lysine 40V, Positive-QTOF	splash10-053u-9300000000-9fe5b1091d9910e02291	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Lysine 10V, Negative-QTOF	splash10-0udi-0590000000-63185b1b1eb4a183e55f	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Lysine 20V, Negative-QTOF	splash10-0zmi-2920000000-cc776ef91b3ff0f379b3	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Lysine 40V, Negative-QTOF	splash10-006x-9300000000-614c758bacfb829e92c1	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Lysine 10V, Positive-QTOF	splash10-0udr-0590000000-378723e3031e7334c28f	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Lysine 20V, Positive-QTOF	splash10-001i-0900000000-968c6a5fe2bb898e5919	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Lysine 40V, Positive-QTOF	splash10-0a4i-9000000000-eba703c68a1207f8dab3	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Lysine 10V, Negative-QTOF	splash10-0udj-0490000000-61acdb9b805d2ec383be	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Lysine 20V, Negative-QTOF	splash10-0002-5900000000-76c19e808c350520f258	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycyl-Lysine 40V, Negative-QTOF	splash10-0006-9200000000-21686288de5aef9b76df	2021-10-11	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

IR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)	2023-02-03	FELIX 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

FDB111881

KNApSAcK ID

Not Available

Chemspider ID

270650

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

306144

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

Girelli AM, Mattei E, Messina A, Tarola AM: Inhibition of polyphenol oxidases activity by various dipeptides. J Agric Food Chem. 2004 May 19;52(10):2741-5. [PubMed:15137808 ]
Zamolodchikova TS, Smirnova EV, Andrianov AN, Kashparov IV, Kotsareva OD, Sokolova EA, Ignatov KB, Pemberton AD: Cloning and molecular modeling of duodenase with respect to evolution of substrate specificity within mammalian serine proteases that have lost a conserved active-site disulfide bond. Biochemistry (Mosc). 2005 Jun;70(6):672-84. [PubMed:16038610 ]
Xi M, Hai C, Tang H, Wen A, Chen H, Liu R, Liang X, Chen M: Antioxidant and antiglycation properties of triterpenoid saponins from Aralia taibaiensis traditionally used for treating diabetes mellitus. Redox Rep. 2010;15(1):20-8. doi: 10.1179/174329210X12650506623041. [PubMed:20196925 ]
Aquilina JA, Carver JA, Truscott RJ: Elucidation of a novel polypeptide cross-link involving 3-hydroxykynurenine. Biochemistry. 1999 Aug 31;38(35):11455-64. [PubMed:10471297 ]
Aquilina JA, Carver JA, Truscott RJ: Polypeptide modification and cross-linking by oxidized 3-hydroxykynurenine. Biochemistry. 2000 Dec 26;39(51):16176-84. [PubMed:11123946 ]
Oh HB, Lin C, Hwang HY, Zhai H, Breuker K, Zabrouskov V, Carpenter BK, McLafferty FW: Infrared photodissociation spectroscopy of electrosprayed ions in a Fourier transform mass spectrometer. J Am Chem Soc. 2005 Mar 23;127(11):4076-83. [PubMed:15771545 ]

Showing metabocard for Glycyl-Lysine (HMDB0028846)

MOL for HMDB0028846 (Glycyl-Lysine)

3D MOL for HMDB0028846 (Glycyl-Lysine)

3D SDF for HMDB0028846 (Glycyl-Lysine)

3D-SDF for HMDB0028846 (Glycyl-Lysine)

PDB for HMDB0028846 (Glycyl-Lysine)

3D PDB for HMDB0028846 (Glycyl-Lysine)

SMILES for HMDB0028846 (Glycyl-Lysine)

INCHI for HMDB0028846 (Glycyl-Lysine)

Structure for HMDB0028846 (Glycyl-Lysine)

3D Structure for HMDB0028846 (Glycyl-Lysine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

IR Spectra