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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2012-09-06 21:03:55 UTC

Update Date

2022-09-22 18:34:23 UTC

HMDB ID

HMDB0029154

Secondary Accession Numbers

HMDB29154

Metabolite Identification

Common Name

gamma-Glutamyllysine

Description

gamma-Glutamyllysine is a dipeptide composed of gamma-glutamate and lysine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. gamma-Glutamyllysine is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.

Structure

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

HMDB0029154
     RDKit          3D
gamma-Glutamyllysine
 40 39  0  0  0  0  0  0  0  0999 V2000
    5.2577   -1.0641   -0.3161 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7909   -0.8812    1.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3509    0.5397    1.2799 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2321    0.8754    0.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0902   -0.0494    0.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9337    0.2656   -0.3530 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1727   -0.6719   -0.0735 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3742   -0.1528    0.4407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4900    1.0709    0.6513 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5138   -1.0448    0.7386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7309   -0.3667    1.2528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3487    0.6498    0.3531 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.5402    1.2333    0.9948 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7552    0.0417   -0.9477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9654   -0.5100   -1.7466 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0996    0.0691   -1.3370 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2489    0.2400   -1.7861 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6263   -0.5743   -2.5626 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1758    1.0342   -2.3915 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9418   -1.8382   -0.4143 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5176   -0.1901   -0.7794 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7017   -1.0665    1.6813 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0392   -1.6097    1.3733 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9211    0.6077    2.3014 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1712    1.2587    1.1183 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6447    0.8011   -0.7429 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9172    1.9230    0.4169 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7564    0.0774    1.5947 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3779   -1.1204    0.4133 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5658    1.2704   -0.0794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0017   -1.6786   -0.2746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2178   -1.8158    1.5150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7553   -1.6868   -0.1592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4726    0.1573    2.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4893   -1.1608    1.4745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6998    1.5200    0.1435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9497    1.8776    0.2836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1989    0.5062    1.3171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3540    0.7644   -2.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8686    0.6986   -3.0603 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
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 14 16  1  0
  6 17  1  0
 17 18  2  0
 17 19  1  0
  1 20  1  0
  1 21  1  0
  2 22  1  0
  2 23  1  0
  3 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  5 28  1  0
  5 29  1  0
  6 30  1  1
  7 31  1  0
 10 32  1  0
 10 33  1  0
 11 34  1  0
 11 35  1  0
 12 36  1  6
 13 37  1  0
 13 38  1  0
 16 39  1  0
 19 40  1  0
M  END


  Mrv1652304062014282D          

 19 18  0  0  0  0            999 V2000
 2499.6427 2499.5885    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 2499.6427 2500.4135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2500.3572 2500.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2501.0716 2500.4135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2501.7861 2500.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2502.5005 2500.4135    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 2503.2150 2500.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2503.9294 2500.4135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2503.2150 2501.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2502.5005 2499.5885    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2500.3572 2501.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2498.9283 2499.1749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2498.2138 2499.5885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2497.4994 2499.1749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2496.7849 2499.5885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2496.0705 2499.1749    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2500.3572 2499.1749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2501.0716 2499.5885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2500.3572 2498.3499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  6  0  0  0
  1 12  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  2  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
  6 10  1  1  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0029154

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C11H21N3O5/c12-6-2-1-3-8(11(18)19)14-9(15)5-4-7(13)10(16)17/h7-8H,1-6,12-13H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1

> <INCHI_KEY>
LNLLNTMHVMIMOG-YUMQZZPRSA-N

> <FORMULA>
C11H21N3O5

> <MOLECULAR_WEIGHT>
275.305

> <EXACT_MASS>
275.148120788

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
28.048072148888366

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-6-amino-2-[(4S)-4-amino-4-carboxybutanamido]hexanoic acid

> <ALOGPS_LOGP>
-3.99

> <JCHEM_LOGP>
-6.127313964934809

> <ALOGPS_LOGS>
-1.73

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
3.7428151634583515

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8904827090391305

> <JCHEM_PKA_STRONGEST_BASIC>
10.257667356449648

> <JCHEM_POLAR_SURFACE_AREA>
155.73999999999998

> <JCHEM_REFRACTIVITY>
65.8973

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.14e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-6-amino-2-[(4S)-4-amino-4-carboxybutanamido]hexanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0029154
     RDKit          3D
gamma-Glutamyllysine
 40 39  0  0  0  0  0  0  0  0999 V2000
    5.2577   -1.0641   -0.3161 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7909   -0.8812    1.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3509    0.5397    1.2799 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2321    0.8754    0.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0902   -0.0494    0.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9337    0.2656   -0.3530 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1727   -0.6719   -0.0735 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3742   -0.1528    0.4407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4900    1.0709    0.6513 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5138   -1.0448    0.7386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7309   -0.3667    1.2528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3487    0.6498    0.3531 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.5402    1.2333    0.9948 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7552    0.0417   -0.9477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9654   -0.5100   -1.7466 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0996    0.0691   -1.3370 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2489    0.2400   -1.7861 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6263   -0.5743   -2.5626 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1758    1.0342   -2.3915 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9418   -1.8382   -0.4143 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5176   -0.1901   -0.7794 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7017   -1.0665    1.6813 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0392   -1.6097    1.3733 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9211    0.6077    2.3014 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1712    1.2587    1.1183 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6447    0.8011   -0.7429 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9172    1.9230    0.4169 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7564    0.0774    1.5947 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3779   -1.1204    0.4133 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5658    1.2704   -0.0794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0017   -1.6786   -0.2746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2178   -1.8158    1.5150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7553   -1.6868   -0.1592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4726    0.1573    2.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4893   -1.1608    1.4745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6998    1.5200    0.1435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9497    1.8776    0.2836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1989    0.5062    1.3171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3540    0.7644   -2.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8686    0.6986   -3.0603 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
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 14 16  1  0
  6 17  1  0
 17 18  2  0
 17 19  1  0
  1 20  1  0
  1 21  1  0
  2 22  1  0
  2 23  1  0
  3 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  5 28  1  0
  5 29  1  0
  6 30  1  1
  7 31  1  0
 10 32  1  0
 10 33  1  0
 11 34  1  0
 11 35  1  0
 12 36  1  6
 13 37  1  0
 13 38  1  0
 16 39  1  0
 19 40  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    4666.0004665.899   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0    4666.0004667.439   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0    4667.3334668.207   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    4668.6674667.439   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0    4670.0014668.207   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    4671.3344667.439   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    4672.6684668.207   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0    4674.0024667.439   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0    4672.6684669.747   0.000  0.00  0.00           O+0
HETATM   10  N   UNK     0    4671.3344665.899   0.000  0.00  0.00           N+0
HETATM   11  O   UNK     0    4667.3334669.747   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0    4664.6664665.126   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    4663.3324665.899   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    4661.9994665.126   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    4660.6654665.899   0.000  0.00  0.00           C+0
HETATM   16  N   UNK     0    4659.3324665.126   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0    4667.3334665.126   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0    4668.6674665.899   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0    4667.3334663.586   0.000  0.00  0.00           O+0
CONECT    1    2   12   17                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4   11                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   10                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    6                                                            
CONECT   11    3                                                            
CONECT   12    1   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15                                                            
CONECT   17    1   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17                                                            
MASTER        0    0    0    0    0    0    0    0   19    0   36    0
END

COMPND    HMDB0029154
HETATM    1  N1  UNL     1       5.258  -1.064  -0.316  1.00  0.00           N  
HETATM    2  C1  UNL     1       4.791  -0.881   1.044  1.00  0.00           C  
HETATM    3  C2  UNL     1       4.351   0.540   1.280  1.00  0.00           C  
HETATM    4  C3  UNL     1       3.232   0.875   0.308  1.00  0.00           C  
HETATM    5  C4  UNL     1       2.090  -0.049   0.544  1.00  0.00           C  
HETATM    6  C5  UNL     1       0.934   0.266  -0.353  1.00  0.00           C  
HETATM    7  N2  UNL     1      -0.173  -0.672  -0.074  1.00  0.00           N  
HETATM    8  C6  UNL     1      -1.374  -0.153   0.441  1.00  0.00           C  
HETATM    9  O1  UNL     1      -1.490   1.071   0.651  1.00  0.00           O  
HETATM   10  C7  UNL     1      -2.514  -1.045   0.739  1.00  0.00           C  
HETATM   11  C8  UNL     1      -3.731  -0.367   1.253  1.00  0.00           C  
HETATM   12  C9  UNL     1      -4.349   0.650   0.353  1.00  0.00           C  
HETATM   13  N3  UNL     1      -5.540   1.233   0.995  1.00  0.00           N  
HETATM   14  C10 UNL     1      -4.755   0.042  -0.948  1.00  0.00           C  
HETATM   15  O2  UNL     1      -3.965  -0.510  -1.747  1.00  0.00           O  
HETATM   16  O3  UNL     1      -6.100   0.069  -1.337  1.00  0.00           O  
HETATM   17  C11 UNL     1       1.249   0.240  -1.786  1.00  0.00           C  
HETATM   18  O4  UNL     1       0.626  -0.574  -2.563  1.00  0.00           O  
HETATM   19  O5  UNL     1       2.176   1.034  -2.392  1.00  0.00           O  
HETATM   20  H1  UNL     1       5.942  -1.838  -0.414  1.00  0.00           H  
HETATM   21  H2  UNL     1       5.518  -0.190  -0.779  1.00  0.00           H  
HETATM   22  H3  UNL     1       5.702  -1.066   1.681  1.00  0.00           H  
HETATM   23  H4  UNL     1       4.039  -1.610   1.373  1.00  0.00           H  
HETATM   24  H5  UNL     1       3.921   0.608   2.301  1.00  0.00           H  
HETATM   25  H6  UNL     1       5.171   1.259   1.118  1.00  0.00           H  
HETATM   26  H7  UNL     1       3.645   0.801  -0.743  1.00  0.00           H  
HETATM   27  H8  UNL     1       2.917   1.923   0.417  1.00  0.00           H  
HETATM   28  H9  UNL     1       1.756   0.077   1.595  1.00  0.00           H  
HETATM   29  H10 UNL     1       2.378  -1.120   0.413  1.00  0.00           H  
HETATM   30  H11 UNL     1       0.566   1.270  -0.079  1.00  0.00           H  
HETATM   31  H12 UNL     1      -0.002  -1.679  -0.275  1.00  0.00           H  
HETATM   32  H13 UNL     1      -2.218  -1.816   1.515  1.00  0.00           H  
HETATM   33  H14 UNL     1      -2.755  -1.687  -0.159  1.00  0.00           H  
HETATM   34  H15 UNL     1      -3.473   0.157   2.210  1.00  0.00           H  
HETATM   35  H16 UNL     1      -4.489  -1.161   1.474  1.00  0.00           H  
HETATM   36  H17 UNL     1      -3.700   1.520   0.144  1.00  0.00           H  
HETATM   37  H18 UNL     1      -5.950   1.878   0.284  1.00  0.00           H  
HETATM   38  H19 UNL     1      -6.199   0.506   1.317  1.00  0.00           H  
HETATM   39  H20 UNL     1      -6.354   0.764  -2.050  1.00  0.00           H  
HETATM   40  H21 UNL     1       2.869   0.699  -3.060  1.00  0.00           H  
CONECT    1    2   20   21
CONECT    2    3   22   23
CONECT    3    4   24   25
CONECT    4    5   26   27
CONECT    5    6   28   29
CONECT    6    7   17   30
CONECT    7    8   31
CONECT    8    9    9   10
CONECT   10   11   32   33
CONECT   11   12   34   35
CONECT   12   13   14   36
CONECT   13   37   38
CONECT   14   15   15   16
CONECT   16   39
CONECT   17   18   18   19
CONECT   19   40
END

HMDB0029154
     RDKit          3D
gamma-Glutamyllysine
 40 39  0  0  0  0  0  0  0  0999 V2000
    5.2577   -1.0641   -0.3161 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7909   -0.8812    1.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3509    0.5397    1.2799 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2321    0.8754    0.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0902   -0.0494    0.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9337    0.2656   -0.3530 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1727   -0.6719   -0.0735 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3742   -0.1528    0.4407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4900    1.0709    0.6513 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5138   -1.0448    0.7386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7309   -0.3667    1.2528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3487    0.6498    0.3531 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.5402    1.2333    0.9948 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7552    0.0417   -0.9477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9654   -0.5100   -1.7466 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0996    0.0691   -1.3370 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2489    0.2400   -1.7861 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6263   -0.5743   -2.5626 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1758    1.0342   -2.3915 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9418   -1.8382   -0.4143 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5176   -0.1901   -0.7794 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7017   -1.0665    1.6813 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0392   -1.6097    1.3733 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9211    0.6077    2.3014 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1712    1.2587    1.1183 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6447    0.8011   -0.7429 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9172    1.9230    0.4169 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7564    0.0774    1.5947 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3779   -1.1204    0.4133 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5658    1.2704   -0.0794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0017   -1.6786   -0.2746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2178   -1.8158    1.5150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7553   -1.6868   -0.1592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4726    0.1573    2.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4893   -1.1608    1.4745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6998    1.5200    0.1435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9497    1.8776    0.2836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1989    0.5062    1.3171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3540    0.7644   -2.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8686    0.6986   -3.0603 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
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 14 16  1  0
  6 17  1  0
 17 18  2  0
 17 19  1  0
  1 20  1  0
  1 21  1  0
  2 22  1  0
  2 23  1  0
  3 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  5 28  1  0
  5 29  1  0
  6 30  1  1
  7 31  1  0
 10 32  1  0
 10 33  1  0
 11 34  1  0
 11 35  1  0
 12 36  1  6
 13 37  1  0
 13 38  1  0
 16 39  1  0
 19 40  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
g-Glutamyllysine	Generator
Γ-glutamyllysine	Generator
gamma-Glutamate lysine dipeptide	HMDB
gamma-Glutamate-lysine dipeptide	HMDB
GE-K dipeptide	HMDB
GEK dipeptide	HMDB
GGlu-lys	HMDB
L-gamma-Glutamyl-L-lysine	HMDB
Γ-glu-lys	HMDB
Γ-L-glu-L-lys	HMDB
Γ-L-glutamyl-L-lysine	HMDB
L-Γ-glutamyl-L-lysine	HMDB
N2-Γ-glutamyllysine	HMDB
N2-L-Γ-glutamyllysine	HMDB
N2-L-Γ-glutamyl-L-lysine	HMDB
gamma-Glu-lys	HMDB
gamma-L-Glu-L-lys	HMDB
gamma-L-Glutamyl-L-lysine	HMDB
N2-gamma-Glutamyllysine	HMDB
N2-L-gamma-Glutamyllysine	HMDB
N2-L-gamma-Glutamyl-L-lysine	HMDB
N2-Γ-L-glutamyl-L-lysine	HMDB
N2-gamma-L-Glutamyl-L-lysine	HMDB
(2S)-6-Amino-2-{[(4S)-4-amino-4-carboxy-1-hydroxybutylidene]amino}hexanoate	HMDB
gamma-Glutamyllysine	HMDB

Chemical Formula

C₁₁H₂₁N₃O₅

Average Molecular Weight

275.305

Monoisotopic Molecular Weight

275.148120788

IUPAC Name

(2S)-6-amino-2-[(4S)-4-amino-4-carboxybutanamido]hexanoic acid

Traditional Name

(2S)-6-amino-2-[(4S)-4-amino-4-carboxybutanamido]hexanoic acid

CAS Registry Number

5978-23-4

SMILES

NCCCC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O

InChI Identifier

InChI=1S/C11H21N3O5/c12-6-2-1-3-8(11(18)19)14-9(15)5-4-7(13)10(16)17/h7-8H,1-6,12-13H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1

InChI Key

LNLLNTMHVMIMOG-YUMQZZPRSA-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
Gamma-glutamyl alpha-amino acid
Glutamine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
N-acyl-l-alpha-amino acid
Alpha-amino acid
Alpha-amino acid or derivatives
L-alpha-amino acid
Medium-chain fatty acid
Amino fatty acid
Fatty acid
Dicarboxylic acid or derivatives
Fatty amide
N-acyl-amine
Fatty acyl
Carboxamide group
Secondary carboxylic acid amide
Amino acid
Amino acid or derivatives
Carboxylic acid
Organonitrogen compound
Organooxygen compound
Primary amine
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organopnictogen compound
Amine
Organic oxygen compound
Organic nitrogen compound
Primary aliphatic amine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Feces (PMID: 29808030)

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

Equine

Horse (FooDB: FOOD00378)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

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

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

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

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	-5.28	Extrapolated

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	4.14 g/L	ALOGPS
logP	-4	ALOGPS
logP	-6.1	ChemAxon
logS	-1.7	ALOGPS
pKa (Strongest Acidic)	1.89	ChemAxon
pKa (Strongest Basic)	10.26	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	155.74 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	65.9 m³·mol⁻¹	ChemAxon
Polarizability	28.05 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]+	168.494	30932474
DeepCCS	[M-H]-	166.136	30932474
DeepCCS	[M-2H]-	199.022	30932474
DeepCCS	[M+Na]+	174.588	30932474
AllCCS	[M+H]+	160.1	32859911
AllCCS	[M+H-H2O]+	157.1	32859911
AllCCS	[M+NH4]+	162.8	32859911
AllCCS	[M+Na]+	163.6	32859911
AllCCS	[M-H]-	163.7	32859911
AllCCS	[M+Na-2H]-	163.9	32859911
AllCCS	[M+HCOO]-	164.3	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
gamma-Glutamyllysine	NCCCC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O	3417.2	Standard polar	33892256
gamma-Glutamyllysine	NCCCC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O	2466.0	Standard non polar	33892256
gamma-Glutamyllysine	NCCCC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O	2703.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
gamma-Glutamyllysine,1TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CCCCN)C(=O)O	2499.2	Semi standard non polar	33892256
gamma-Glutamyllysine,1TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CCCCN)NC(=O)CC[C@H](N)C(=O)O	2514.1	Semi standard non polar	33892256
gamma-Glutamyllysine,1TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O	2688.1	Semi standard non polar	33892256
gamma-Glutamyllysine,1TMS,isomer #4	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CCCCN)C(=O)O)C(=O)O	2613.3	Semi standard non polar	33892256
gamma-Glutamyllysine,1TMS,isomer #5	C[Si](C)(C)N(C(=O)CC[C@H](N)C(=O)O)[C@@H](CCCCN)C(=O)O	2538.8	Semi standard non polar	33892256
gamma-Glutamyllysine,2TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C	2498.6	Semi standard non polar	33892256
gamma-Glutamyllysine,2TMS,isomer #10	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C	2627.1	Semi standard non polar	33892256
gamma-Glutamyllysine,2TMS,isomer #11	C[Si](C)(C)N([C@@H](CCC(=O)N[C@@H](CCCCN)C(=O)O)C(=O)O)[Si](C)(C)C	2727.8	Semi standard non polar	33892256
gamma-Glutamyllysine,2TMS,isomer #12	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C)C(=O)O	2568.4	Semi standard non polar	33892256
gamma-Glutamyllysine,2TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CCCCN)C(=O)O)C(=O)O[Si](C)(C)C	2567.3	Semi standard non polar	33892256
gamma-Glutamyllysine,2TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	2624.0	Semi standard non polar	33892256
gamma-Glutamyllysine,2TMS,isomer #4	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C	2481.5	Semi standard non polar	33892256
gamma-Glutamyllysine,2TMS,isomer #5	C[Si](C)(C)NCCCC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	2629.0	Semi standard non polar	33892256
gamma-Glutamyllysine,2TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C)C(=O)O	2575.4	Semi standard non polar	33892256
gamma-Glutamyllysine,2TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CCCCN)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C	2512.2	Semi standard non polar	33892256
gamma-Glutamyllysine,2TMS,isomer #8	C[Si](C)(C)NCCCC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	2728.9	Semi standard non polar	33892256
gamma-Glutamyllysine,2TMS,isomer #9	C[Si](C)(C)N(CCCC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O)[Si](C)(C)C	2814.9	Semi standard non polar	33892256
gamma-Glutamyllysine,3TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2570.6	Semi standard non polar	33892256
gamma-Glutamyllysine,3TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2562.2	Standard non polar	33892256
gamma-Glutamyllysine,3TMS,isomer #10	C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)CC[C@H](N)C(=O)O	2779.3	Semi standard non polar	33892256
gamma-Glutamyllysine,3TMS,isomer #10	C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)CC[C@H](N)C(=O)O	2665.0	Standard non polar	33892256
gamma-Glutamyllysine,3TMS,isomer #11	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C	2605.3	Semi standard non polar	33892256
gamma-Glutamyllysine,3TMS,isomer #11	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C	2614.3	Standard non polar	33892256
gamma-Glutamyllysine,3TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CCCCN)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2706.5	Semi standard non polar	33892256
gamma-Glutamyllysine,3TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CCCCN)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2643.1	Standard non polar	33892256
gamma-Glutamyllysine,3TMS,isomer #13	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2565.5	Semi standard non polar	33892256
gamma-Glutamyllysine,3TMS,isomer #13	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2566.2	Standard non polar	33892256
gamma-Glutamyllysine,3TMS,isomer #14	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(=O)O	2872.2	Semi standard non polar	33892256
gamma-Glutamyllysine,3TMS,isomer #14	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(=O)O	2714.4	Standard non polar	33892256
gamma-Glutamyllysine,3TMS,isomer #15	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2659.1	Semi standard non polar	33892256
gamma-Glutamyllysine,3TMS,isomer #15	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2704.4	Standard non polar	33892256
gamma-Glutamyllysine,3TMS,isomer #16	C[Si](C)(C)NCCCC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2849.5	Semi standard non polar	33892256
gamma-Glutamyllysine,3TMS,isomer #16	C[Si](C)(C)NCCCC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2730.5	Standard non polar	33892256
gamma-Glutamyllysine,3TMS,isomer #17	C[Si](C)(C)N(C(=O)CC[C@H](N)C(=O)O)[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2749.6	Semi standard non polar	33892256
gamma-Glutamyllysine,3TMS,isomer #17	C[Si](C)(C)N(C(=O)CC[C@H](N)C(=O)O)[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2685.6	Standard non polar	33892256
gamma-Glutamyllysine,3TMS,isomer #18	C[Si](C)(C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCCCN)C(=O)O	2646.4	Semi standard non polar	33892256
gamma-Glutamyllysine,3TMS,isomer #18	C[Si](C)(C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCCCN)C(=O)O	2649.3	Standard non polar	33892256
gamma-Glutamyllysine,3TMS,isomer #2	C[Si](C)(C)NCCCC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2622.9	Semi standard non polar	33892256
gamma-Glutamyllysine,3TMS,isomer #2	C[Si](C)(C)NCCCC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2611.3	Standard non polar	33892256
gamma-Glutamyllysine,3TMS,isomer #3	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2490.6	Semi standard non polar	33892256
gamma-Glutamyllysine,3TMS,isomer #3	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2491.9	Standard non polar	33892256
gamma-Glutamyllysine,3TMS,isomer #4	C[Si](C)(C)NCCCC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	2698.7	Semi standard non polar	33892256
gamma-Glutamyllysine,3TMS,isomer #4	C[Si](C)(C)NCCCC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	2687.5	Standard non polar	33892256
gamma-Glutamyllysine,3TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2712.4	Semi standard non polar	33892256
gamma-Glutamyllysine,3TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2646.0	Standard non polar	33892256
gamma-Glutamyllysine,3TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2530.5	Semi standard non polar	33892256
gamma-Glutamyllysine,3TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2573.3	Standard non polar	33892256
gamma-Glutamyllysine,3TMS,isomer #7	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2785.9	Semi standard non polar	33892256
gamma-Glutamyllysine,3TMS,isomer #7	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2688.3	Standard non polar	33892256
gamma-Glutamyllysine,3TMS,isomer #8	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2580.7	Semi standard non polar	33892256
gamma-Glutamyllysine,3TMS,isomer #8	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2633.6	Standard non polar	33892256
gamma-Glutamyllysine,3TMS,isomer #9	C[Si](C)(C)NCCCC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C	2708.7	Semi standard non polar	33892256
gamma-Glutamyllysine,3TMS,isomer #9	C[Si](C)(C)NCCCC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C	2680.2	Standard non polar	33892256
gamma-Glutamyllysine,4TMS,isomer #1	C[Si](C)(C)NCCCC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2677.4	Semi standard non polar	33892256
gamma-Glutamyllysine,4TMS,isomer #1	C[Si](C)(C)NCCCC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2707.3	Standard non polar	33892256
gamma-Glutamyllysine,4TMS,isomer #10	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2734.2	Semi standard non polar	33892256
gamma-Glutamyllysine,4TMS,isomer #10	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2711.6	Standard non polar	33892256
gamma-Glutamyllysine,4TMS,isomer #11	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	2837.6	Semi standard non polar	33892256
gamma-Glutamyllysine,4TMS,isomer #11	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	2740.7	Standard non polar	33892256
gamma-Glutamyllysine,4TMS,isomer #12	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2626.9	Semi standard non polar	33892256
gamma-Glutamyllysine,4TMS,isomer #12	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2710.1	Standard non polar	33892256
gamma-Glutamyllysine,4TMS,isomer #13	C[Si](C)(C)NCCCC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2823.5	Semi standard non polar	33892256
gamma-Glutamyllysine,4TMS,isomer #13	C[Si](C)(C)NCCCC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2778.0	Standard non polar	33892256
gamma-Glutamyllysine,4TMS,isomer #14	C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C	2748.2	Semi standard non polar	33892256
gamma-Glutamyllysine,4TMS,isomer #14	C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C	2711.3	Standard non polar	33892256
gamma-Glutamyllysine,4TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CCCCN)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2666.6	Semi standard non polar	33892256
gamma-Glutamyllysine,4TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CCCCN)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2688.4	Standard non polar	33892256
gamma-Glutamyllysine,4TMS,isomer #16	C[Si](C)(C)N(CCCC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2989.0	Semi standard non polar	33892256
gamma-Glutamyllysine,4TMS,isomer #16	C[Si](C)(C)N(CCCC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2816.6	Standard non polar	33892256
gamma-Glutamyllysine,4TMS,isomer #17	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O	2783.6	Semi standard non polar	33892256
gamma-Glutamyllysine,4TMS,isomer #17	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O	2770.5	Standard non polar	33892256
gamma-Glutamyllysine,4TMS,isomer #18	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2734.2	Semi standard non polar	33892256
gamma-Glutamyllysine,4TMS,isomer #18	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2816.0	Standard non polar	33892256
gamma-Glutamyllysine,4TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CCCCN)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2708.9	Semi standard non polar	33892256
gamma-Glutamyllysine,4TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CCCCN)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2669.8	Standard non polar	33892256
gamma-Glutamyllysine,4TMS,isomer #3	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2503.9	Semi standard non polar	33892256
gamma-Glutamyllysine,4TMS,isomer #3	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2595.6	Standard non polar	33892256
gamma-Glutamyllysine,4TMS,isomer #4	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2766.2	Semi standard non polar	33892256
gamma-Glutamyllysine,4TMS,isomer #4	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2694.0	Standard non polar	33892256
gamma-Glutamyllysine,4TMS,isomer #5	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2555.3	Semi standard non polar	33892256
gamma-Glutamyllysine,4TMS,isomer #5	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2637.6	Standard non polar	33892256
gamma-Glutamyllysine,4TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C	2839.9	Semi standard non polar	33892256
gamma-Glutamyllysine,4TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C	2748.6	Standard non polar	33892256
gamma-Glutamyllysine,4TMS,isomer #7	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2608.8	Semi standard non polar	33892256
gamma-Glutamyllysine,4TMS,isomer #7	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2730.7	Standard non polar	33892256
gamma-Glutamyllysine,4TMS,isomer #8	C[Si](C)(C)NCCCC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2827.5	Semi standard non polar	33892256
gamma-Glutamyllysine,4TMS,isomer #8	C[Si](C)(C)NCCCC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2765.7	Standard non polar	33892256
gamma-Glutamyllysine,4TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2665.9	Semi standard non polar	33892256
gamma-Glutamyllysine,4TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2690.0	Standard non polar	33892256
gamma-Glutamyllysine,5TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2797.5	Semi standard non polar	33892256
gamma-Glutamyllysine,5TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2767.7	Standard non polar	33892256
gamma-Glutamyllysine,5TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2784.4	Semi standard non polar	33892256
gamma-Glutamyllysine,5TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2777.9	Standard non polar	33892256
gamma-Glutamyllysine,5TMS,isomer #11	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2728.2	Semi standard non polar	33892256
gamma-Glutamyllysine,5TMS,isomer #11	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2815.9	Standard non polar	33892256
gamma-Glutamyllysine,5TMS,isomer #12	C[Si](C)(C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2945.0	Semi standard non polar	33892256
gamma-Glutamyllysine,5TMS,isomer #12	C[Si](C)(C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2885.0	Standard non polar	33892256
gamma-Glutamyllysine,5TMS,isomer #2	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2582.0	Semi standard non polar	33892256
gamma-Glutamyllysine,5TMS,isomer #2	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2733.3	Standard non polar	33892256
gamma-Glutamyllysine,5TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2785.8	Semi standard non polar	33892256
gamma-Glutamyllysine,5TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2783.1	Standard non polar	33892256
gamma-Glutamyllysine,5TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H](CCCCN)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2688.3	Semi standard non polar	33892256
gamma-Glutamyllysine,5TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H](CCCCN)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2713.8	Standard non polar	33892256
gamma-Glutamyllysine,5TMS,isomer #5	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2736.8	Semi standard non polar	33892256
gamma-Glutamyllysine,5TMS,isomer #5	C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2732.0	Standard non polar	33892256
gamma-Glutamyllysine,5TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3015.6	Semi standard non polar	33892256
gamma-Glutamyllysine,5TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2838.8	Standard non polar	33892256
gamma-Glutamyllysine,5TMS,isomer #7	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2760.3	Semi standard non polar	33892256
gamma-Glutamyllysine,5TMS,isomer #7	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2791.4	Standard non polar	33892256
gamma-Glutamyllysine,5TMS,isomer #8	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2742.7	Semi standard non polar	33892256
gamma-Glutamyllysine,5TMS,isomer #8	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2815.5	Standard non polar	33892256
gamma-Glutamyllysine,5TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2981.6	Semi standard non polar	33892256
gamma-Glutamyllysine,5TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2847.3	Standard non polar	33892256
gamma-Glutamyllysine,6TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2977.3	Semi standard non polar	33892256
gamma-Glutamyllysine,6TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2848.2	Standard non polar	33892256
gamma-Glutamyllysine,6TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2768.6	Semi standard non polar	33892256
gamma-Glutamyllysine,6TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2804.0	Standard non polar	33892256
gamma-Glutamyllysine,6TMS,isomer #3	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2763.3	Semi standard non polar	33892256
gamma-Glutamyllysine,6TMS,isomer #3	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2818.5	Standard non polar	33892256
gamma-Glutamyllysine,6TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2983.6	Semi standard non polar	33892256
gamma-Glutamyllysine,6TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2886.3	Standard non polar	33892256
gamma-Glutamyllysine,6TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2970.9	Semi standard non polar	33892256
gamma-Glutamyllysine,6TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2889.0	Standard non polar	33892256
gamma-Glutamyllysine,7TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3010.0	Semi standard non polar	33892256
gamma-Glutamyllysine,7TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2894.8	Standard non polar	33892256
gamma-Glutamyllysine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CCCCN)C(=O)O	2761.1	Semi standard non polar	33892256
gamma-Glutamyllysine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)NC(=O)CC[C@H](N)C(=O)O	2774.9	Semi standard non polar	33892256
gamma-Glutamyllysine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O	2942.2	Semi standard non polar	33892256
gamma-Glutamyllysine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CCCCN)C(=O)O)C(=O)O	2852.5	Semi standard non polar	33892256
gamma-Glutamyllysine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@H](N)C(=O)O)[C@@H](CCCCN)C(=O)O	2777.8	Semi standard non polar	33892256
gamma-Glutamyllysine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	3013.0	Semi standard non polar	33892256
gamma-Glutamyllysine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3127.5	Semi standard non polar	33892256
gamma-Glutamyllysine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N([C@@H](CCC(=O)N[C@@H](CCCCN)C(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3166.2	Semi standard non polar	33892256
gamma-Glutamyllysine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O	3031.9	Semi standard non polar	33892256
gamma-Glutamyllysine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CCCCN)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3057.4	Semi standard non polar	33892256
gamma-Glutamyllysine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3121.5	Semi standard non polar	33892256
gamma-Glutamyllysine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	2980.1	Semi standard non polar	33892256
gamma-Glutamyllysine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3124.7	Semi standard non polar	33892256
gamma-Glutamyllysine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3052.0	Semi standard non polar	33892256
gamma-Glutamyllysine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	2994.6	Semi standard non polar	33892256
gamma-Glutamyllysine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O	3236.0	Semi standard non polar	33892256
gamma-Glutamyllysine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(CCCC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3280.6	Semi standard non polar	33892256
gamma-Glutamyllysine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3268.4	Semi standard non polar	33892256
gamma-Glutamyllysine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3090.7	Standard non polar	33892256
gamma-Glutamyllysine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)CC[C@H](N)C(=O)O	3462.1	Semi standard non polar	33892256
gamma-Glutamyllysine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)CC[C@H](N)C(=O)O	3188.7	Standard non polar	33892256
gamma-Glutamyllysine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3313.5	Semi standard non polar	33892256
gamma-Glutamyllysine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3135.6	Standard non polar	33892256
gamma-Glutamyllysine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3404.5	Semi standard non polar	33892256
gamma-Glutamyllysine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3124.9	Standard non polar	33892256
gamma-Glutamyllysine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3252.4	Semi standard non polar	33892256
gamma-Glutamyllysine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3089.5	Standard non polar	33892256
gamma-Glutamyllysine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O	3567.5	Semi standard non polar	33892256
gamma-Glutamyllysine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O	3201.6	Standard non polar	33892256
gamma-Glutamyllysine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3383.4	Semi standard non polar	33892256
gamma-Glutamyllysine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3148.0	Standard non polar	33892256
gamma-Glutamyllysine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3561.7	Semi standard non polar	33892256
gamma-Glutamyllysine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3191.5	Standard non polar	33892256
gamma-Glutamyllysine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@H](N)C(=O)O)[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3412.4	Semi standard non polar	33892256
gamma-Glutamyllysine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@H](N)C(=O)O)[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3175.5	Standard non polar	33892256
gamma-Glutamyllysine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCCCN)C(=O)O	3366.9	Semi standard non polar	33892256
gamma-Glutamyllysine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCCCN)C(=O)O	3121.3	Standard non polar	33892256
gamma-Glutamyllysine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3324.1	Semi standard non polar	33892256
gamma-Glutamyllysine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3149.9	Standard non polar	33892256
gamma-Glutamyllysine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3196.8	Semi standard non polar	33892256
gamma-Glutamyllysine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3061.9	Standard non polar	33892256
gamma-Glutamyllysine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3402.7	Semi standard non polar	33892256
gamma-Glutamyllysine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3157.5	Standard non polar	33892256
gamma-Glutamyllysine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3417.4	Semi standard non polar	33892256
gamma-Glutamyllysine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3131.8	Standard non polar	33892256
gamma-Glutamyllysine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3240.0	Semi standard non polar	33892256
gamma-Glutamyllysine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3084.9	Standard non polar	33892256
gamma-Glutamyllysine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3473.5	Semi standard non polar	33892256
gamma-Glutamyllysine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3198.5	Standard non polar	33892256
gamma-Glutamyllysine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3312.4	Semi standard non polar	33892256
gamma-Glutamyllysine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3142.9	Standard non polar	33892256
gamma-Glutamyllysine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3399.0	Semi standard non polar	33892256
gamma-Glutamyllysine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3161.2	Standard non polar	33892256
gamma-Glutamyllysine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3555.2	Semi standard non polar	33892256
gamma-Glutamyllysine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3321.6	Standard non polar	33892256
gamma-Glutamyllysine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](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	3611.2	Semi standard non polar	33892256
gamma-Glutamyllysine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](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	3348.7	Standard non polar	33892256
gamma-Glutamyllysine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](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)C(=O)O	3739.6	Semi standard non polar	33892256
gamma-Glutamyllysine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](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)C(=O)O	3369.4	Standard non polar	33892256
gamma-Glutamyllysine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3557.8	Semi standard non polar	33892256
gamma-Glutamyllysine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3313.1	Standard non polar	33892256
gamma-Glutamyllysine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3753.2	Semi standard non polar	33892256
gamma-Glutamyllysine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3369.0	Standard non polar	33892256
gamma-Glutamyllysine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3613.5	Semi standard non polar	33892256
gamma-Glutamyllysine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3356.6	Standard non polar	33892256
gamma-Glutamyllysine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3575.5	Semi standard non polar	33892256
gamma-Glutamyllysine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3307.2	Standard non polar	33892256
gamma-Glutamyllysine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(CCCC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3870.2	Semi standard non polar	33892256
gamma-Glutamyllysine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(CCCC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3427.4	Standard non polar	33892256
gamma-Glutamyllysine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](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)C(=O)O	3678.6	Semi standard non polar	33892256
gamma-Glutamyllysine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](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)C(=O)O	3366.3	Standard non polar	33892256
gamma-Glutamyllysine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3713.3	Semi standard non polar	33892256
gamma-Glutamyllysine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3373.6	Standard non polar	33892256
gamma-Glutamyllysine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3627.9	Semi standard non polar	33892256
gamma-Glutamyllysine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3299.8	Standard non polar	33892256
gamma-Glutamyllysine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3425.7	Semi standard non polar	33892256
gamma-Glutamyllysine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3258.0	Standard non polar	33892256
gamma-Glutamyllysine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](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	3674.7	Semi standard non polar	33892256
gamma-Glutamyllysine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](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	3348.0	Standard non polar	33892256
gamma-Glutamyllysine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3462.7	Semi standard non polar	33892256
gamma-Glutamyllysine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3305.2	Standard non polar	33892256
gamma-Glutamyllysine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3734.8	Semi standard non polar	33892256
gamma-Glutamyllysine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3371.2	Standard non polar	33892256
gamma-Glutamyllysine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3543.5	Semi standard non polar	33892256
gamma-Glutamyllysine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3313.3	Standard non polar	33892256
gamma-Glutamyllysine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3765.7	Semi standard non polar	33892256
gamma-Glutamyllysine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3370.3	Standard non polar	33892256
gamma-Glutamyllysine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3588.6	Semi standard non polar	33892256
gamma-Glutamyllysine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3309.0	Standard non polar	33892256
gamma-Glutamyllysine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](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)C(=O)O[Si](C)(C)C(C)(C)C	3923.1	Semi standard non polar	33892256
gamma-Glutamyllysine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N[C@@H](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)C(=O)O[Si](C)(C)C(C)(C)C	3506.8	Standard non polar	33892256
gamma-Glutamyllysine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](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)C(=O)O	3874.1	Semi standard non polar	33892256
gamma-Glutamyllysine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](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)C(=O)O	3509.3	Standard non polar	33892256
gamma-Glutamyllysine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3903.9	Semi standard non polar	33892256
gamma-Glutamyllysine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3520.6	Standard non polar	33892256
gamma-Glutamyllysine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4002.9	Semi standard non polar	33892256
gamma-Glutamyllysine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3576.8	Standard non polar	33892256
gamma-Glutamyllysine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3684.9	Semi standard non polar	33892256
gamma-Glutamyllysine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3462.0	Standard non polar	33892256
gamma-Glutamyllysine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3937.5	Semi standard non polar	33892256
gamma-Glutamyllysine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3512.1	Standard non polar	33892256
gamma-Glutamyllysine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3792.9	Semi standard non polar	33892256
gamma-Glutamyllysine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3468.9	Standard non polar	33892256
gamma-Glutamyllysine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](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	3817.9	Semi standard non polar	33892256
gamma-Glutamyllysine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N([C@@H](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	3499.3	Standard non polar	33892256
gamma-Glutamyllysine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4081.7	Semi standard non polar	33892256
gamma-Glutamyllysine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3570.1	Standard non polar	33892256
gamma-Glutamyllysine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](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)C(=O)O[Si](C)(C)C(C)(C)C	3857.7	Semi standard non polar	33892256
gamma-Glutamyllysine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([C@@H](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)C(=O)O[Si](C)(C)C(C)(C)C	3508.1	Standard non polar	33892256
gamma-Glutamyllysine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3911.8	Semi standard non polar	33892256
gamma-Glutamyllysine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3521.6	Standard non polar	33892256
gamma-Glutamyllysine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4069.9	Semi standard non polar	33892256
gamma-Glutamyllysine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3564.4	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - gamma-Glutamyllysine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - gamma-Glutamyllysine 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 - gamma-Glutamyllysine 10V, Positive-QTOF	splash10-0a6r-0290000000-1c04474f1ccb510bdf0b	2018-11-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - gamma-Glutamyllysine 20V, Positive-QTOF	splash10-0f8c-6890000000-54869040b128dc0227d8	2018-11-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - gamma-Glutamyllysine 40V, Positive-QTOF	splash10-0pc0-9200000000-b0ec4365e431d2855ffa	2018-11-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - gamma-Glutamyllysine 10V, Positive-QTOF	splash10-004i-0190000000-6560d1e645072ec84b74	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - gamma-Glutamyllysine 20V, Positive-QTOF	splash10-001i-1940000000-425d9c6388a7d31fc992	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - gamma-Glutamyllysine 40V, Positive-QTOF	splash10-0a59-9200000000-911cc5b749356ccd15b5	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - gamma-Glutamyllysine 10V, Negative-QTOF	splash10-00di-0090000000-3eba53a17f70acdf7173	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - gamma-Glutamyllysine 20V, Negative-QTOF	splash10-00dj-4890000000-b7f01dcb427282f74658	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - gamma-Glutamyllysine 40V, Negative-QTOF	splash10-0006-9500000000-43e32fc2b26745c802a3	2021-09-23	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood
Feces
Urine

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	29808030	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Cancer patients undergoing total body irradiation	31424920	details
Urine	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Cancer patients undergoing total body irradiation	31424920	details

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

FDB112148

KNApSAcK ID

Not Available

Chemspider ID

58747

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

65254

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

Not Available

Showing metabocard for gamma-Glutamyllysine (HMDB0029154)

MOL for HMDB0029154 (gamma-Glutamyllysine)

3D MOL for HMDB0029154 (gamma-Glutamyllysine)

3D SDF for HMDB0029154 (gamma-Glutamyllysine)

3D-SDF for HMDB0029154 (gamma-Glutamyllysine)

PDB for HMDB0029154 (gamma-Glutamyllysine)

3D PDB for HMDB0029154 (gamma-Glutamyllysine)

SMILES for HMDB0029154 (gamma-Glutamyllysine)

INCHI for HMDB0029154 (gamma-Glutamyllysine)

Structure for HMDB0029154 (gamma-Glutamyllysine)

3D Structure for HMDB0029154 (gamma-Glutamyllysine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra