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Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2006-08-13 14:15:06 UTC

Update Date

2021-09-14 15:47:04 UTC

HMDB ID

HMDB0004207

Secondary Accession Numbers

HMDB0028824
HMDB04207
HMDB28824

Metabolite Identification

Common Name

Glutamyllysine

Description

Glutamyllysine is a dipeptide composed of 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. 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. The absorption of glutamyllysine is facilitated by the human intestinal oligopeptide transporter (PEPT1) (PMID 16759105 ).

Structure

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

HMDB0004207
     RDKit          3D
Glutamyllysine
 40 39  0  0  0  0  0  0  0  0999 V2000
   -3.7253    2.2012    1.2005 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3071    1.9496    1.2279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9366    0.7583    0.3316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6764   -0.4160    0.8663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4946   -1.7057    0.1628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1135   -2.2687    0.1167 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1422   -1.4230   -0.5336 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1471   -1.2939    0.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3903   -1.9266    1.1496 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1444   -0.4386   -0.5810 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6087    0.1450   -1.7703 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    0.6975    0.3225 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6266    1.4864   -0.4564 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1864    2.6210    0.2697 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8311    2.8796    1.4399 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1262    3.4337   -0.3311 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2118   -3.4911   -0.7822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5542   -3.6196   -1.8176 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1006   -4.4625   -0.3545 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2048    1.8183    2.0428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2012    1.7930    0.3560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0242    1.7149    2.2872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7656    2.8633    0.8981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3212    1.0393   -0.6915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8521    0.6937    0.3499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7756   -0.1570    0.7880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4530   -0.5085    1.9534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9485   -1.6425   -0.8580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1461   -2.4581    0.7061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7329   -2.5895    1.1102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3704   -0.9114   -1.4276 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0547   -1.0147   -0.8563 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9249    0.9030   -1.6096 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2955    0.3206   -2.5141 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0567    0.2974    1.2613 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7760    1.3419    0.6164 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0977    1.8863   -1.3645 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4224    0.8124   -0.8531 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7924    4.0947   -1.0501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0428   -5.4234   -0.6596 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
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
  6 17  1  0
 17 18  2  0
 17 19  1  0
  1 20  1  0
  1 21  1  0
  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  6
 11 33  1  0
 11 34  1  0
 12 35  1  0
 12 36  1  0
 13 37  1  0
 13 38  1  0
 16 39  1  0
 19 40  1  0
M  END


  Mrv1652312081723442D          

 19 18  0  0  0  0            999 V2000
 2503.0775 2500.9715    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 2503.0775 2501.7972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2503.7905 2502.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2504.5055 2501.7972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2503.7905 2503.0367    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 2503.0775 2503.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2502.3625 2503.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2501.6477 2503.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2500.9328 2503.0367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2501.6477 2504.2740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2504.5055 2503.4483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2502.3625 2500.5599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2501.6457 2500.9715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2500.9307 2500.5599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2500.2156 2500.9715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2499.5007 2500.5599    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2503.7926 2500.5599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2504.5075 2500.9715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2503.7926 2499.7342    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  2  0  0  0  0
  5  3  1  6  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 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>
HMDB0004207

> <DATABASE_NAME>
hmdb

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

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

> <INCHI_KEY>
BBBXWRGITSUJPB-YUMQZZPRSA-N

> <FORMULA>
C11H21N3O5

> <MOLECULAR_WEIGHT>
275.3015

> <EXACT_MASS>
275.148120797

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
28.326071017493952

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-3.90

> <JCHEM_LOGP>
-6.127636990176833

> <ALOGPS_LOGS>
-1.73

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
4.045688045389653

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.327542552072438

> <JCHEM_PKA_STRONGEST_BASIC>
10.212786638991455

> <JCHEM_POLAR_SURFACE_AREA>
155.73999999999998

> <JCHEM_REFRACTIVITY>
65.89730000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.13e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
L-α-glutamyl-L-lysine

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0004207
     RDKit          3D
Glutamyllysine
 40 39  0  0  0  0  0  0  0  0999 V2000
   -3.7253    2.2012    1.2005 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3071    1.9496    1.2279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9366    0.7583    0.3316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6764   -0.4160    0.8663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4946   -1.7057    0.1628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1135   -2.2687    0.1167 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1422   -1.4230   -0.5336 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1471   -1.2939    0.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3903   -1.9266    1.1496 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1444   -0.4386   -0.5810 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6087    0.1450   -1.7703 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    0.6975    0.3225 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6266    1.4864   -0.4564 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1864    2.6210    0.2697 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8311    2.8796    1.4399 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1262    3.4337   -0.3311 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2118   -3.4911   -0.7822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5542   -3.6196   -1.8176 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1006   -4.4625   -0.3545 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2048    1.8183    2.0428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2012    1.7930    0.3560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0242    1.7149    2.2872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7656    2.8633    0.8981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3212    1.0393   -0.6915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8521    0.6937    0.3499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7756   -0.1570    0.7880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4530   -0.5085    1.9534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9485   -1.6425   -0.8580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1461   -2.4581    0.7061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7329   -2.5895    1.1102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3704   -0.9114   -1.4276 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0547   -1.0147   -0.8563 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9249    0.9030   -1.6096 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2955    0.3206   -2.5141 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0567    0.2974    1.2613 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7760    1.3419    0.6164 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0977    1.8863   -1.3645 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4224    0.8124   -0.8531 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7924    4.0947   -1.0501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0428   -5.4234   -0.6596 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
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
  6 17  1  0
 17 18  2  0
 17 19  1  0
  1 20  1  0
  1 21  1  0
  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  6
 11 33  1  0
 11 34  1  0
 12 35  1  0
 12 36  1  0
 13 37  1  0
 13 38  1  0
 16 39  1  0
 19 40  1  0
M  END

HEADER    PROTEIN                                 08-DEC-17   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-DEC-17         0                                  
HETATM    1  C   UNK     0    4672.4114668.480   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0    4672.4114670.021   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0    4673.7424670.794   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0    4675.0774670.021   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0    4673.7424672.335   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    4672.4114673.103   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    4671.0774672.335   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    4669.7424673.103   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0    4668.4084672.335   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0    4669.7424674.645   0.000  0.00  0.00           O+0
HETATM   11  N   UNK     0    4675.0774673.103   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0    4671.0774667.712   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    4669.7394668.480   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    4668.4044667.712   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    4667.0694668.480   0.000  0.00  0.00           C+0
HETATM   16  N   UNK     0    4665.7354667.712   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0    4673.7464667.712   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0    4675.0814668.480   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0    4673.7464666.171   0.000  0.00  0.00           O+0
CONECT    1    2   12   17                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   11                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    5                                                            
CONECT   12    1   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
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    HMDB0004207
HETATM    1  N1  UNL     1      -3.725   2.201   1.201  1.00  0.00           N  
HETATM    2  C1  UNL     1      -2.307   1.950   1.228  1.00  0.00           C  
HETATM    3  C2  UNL     1      -1.937   0.758   0.332  1.00  0.00           C  
HETATM    4  C3  UNL     1      -2.676  -0.416   0.866  1.00  0.00           C  
HETATM    5  C4  UNL     1      -2.495  -1.706   0.163  1.00  0.00           C  
HETATM    6  C5  UNL     1      -1.114  -2.269   0.117  1.00  0.00           C  
HETATM    7  N2  UNL     1      -0.142  -1.423  -0.534  1.00  0.00           N  
HETATM    8  C6  UNL     1       1.147  -1.294   0.068  1.00  0.00           C  
HETATM    9  O1  UNL     1       1.390  -1.927   1.150  1.00  0.00           O  
HETATM   10  C7  UNL     1       2.144  -0.439  -0.581  1.00  0.00           C  
HETATM   11  N3  UNL     1       1.609   0.145  -1.770  1.00  0.00           N  
HETATM   12  C8  UNL     1       2.620   0.698   0.322  1.00  0.00           C  
HETATM   13  C9  UNL     1       3.627   1.486  -0.456  1.00  0.00           C  
HETATM   14  C10 UNL     1       4.186   2.621   0.270  1.00  0.00           C  
HETATM   15  O2  UNL     1       3.831   2.880   1.440  1.00  0.00           O  
HETATM   16  O3  UNL     1       5.126   3.434  -0.331  1.00  0.00           O  
HETATM   17  C11 UNL     1      -1.212  -3.491  -0.782  1.00  0.00           C  
HETATM   18  O4  UNL     1      -0.554  -3.620  -1.818  1.00  0.00           O  
HETATM   19  O5  UNL     1      -2.101  -4.462  -0.354  1.00  0.00           O  
HETATM   20  H1  UNL     1      -4.205   1.818   2.043  1.00  0.00           H  
HETATM   21  H2  UNL     1      -4.201   1.793   0.356  1.00  0.00           H  
HETATM   22  H3  UNL     1      -2.024   1.715   2.287  1.00  0.00           H  
HETATM   23  H4  UNL     1      -1.766   2.863   0.898  1.00  0.00           H  
HETATM   24  H5  UNL     1      -2.321   1.039  -0.692  1.00  0.00           H  
HETATM   25  H6  UNL     1      -0.852   0.694   0.350  1.00  0.00           H  
HETATM   26  H7  UNL     1      -3.776  -0.157   0.788  1.00  0.00           H  
HETATM   27  H8  UNL     1      -2.453  -0.508   1.953  1.00  0.00           H  
HETATM   28  H9  UNL     1      -2.949  -1.643  -0.858  1.00  0.00           H  
HETATM   29  H10 UNL     1      -3.146  -2.458   0.706  1.00  0.00           H  
HETATM   30  H11 UNL     1      -0.733  -2.590   1.110  1.00  0.00           H  
HETATM   31  H12 UNL     1      -0.370  -0.911  -1.428  1.00  0.00           H  
HETATM   32  H13 UNL     1       3.055  -1.015  -0.856  1.00  0.00           H  
HETATM   33  H14 UNL     1       0.925   0.903  -1.610  1.00  0.00           H  
HETATM   34  H15 UNL     1       2.296   0.321  -2.514  1.00  0.00           H  
HETATM   35  H16 UNL     1       3.057   0.297   1.261  1.00  0.00           H  
HETATM   36  H17 UNL     1       1.776   1.342   0.616  1.00  0.00           H  
HETATM   37  H18 UNL     1       3.098   1.886  -1.365  1.00  0.00           H  
HETATM   38  H19 UNL     1       4.422   0.812  -0.853  1.00  0.00           H  
HETATM   39  H20 UNL     1       4.792   4.095  -1.050  1.00  0.00           H  
HETATM   40  H21 UNL     1      -2.043  -5.423  -0.660  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   12   32
CONECT   11   33   34
CONECT   12   13   35   36
CONECT   13   14   37   38
CONECT   14   15   15   16
CONECT   16   39
CONECT   17   18   18   19
CONECT   19   40
END

HMDB0004207
     RDKit          3D
Glutamyllysine
 40 39  0  0  0  0  0  0  0  0999 V2000
   -3.7253    2.2012    1.2005 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3071    1.9496    1.2279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9366    0.7583    0.3316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6764   -0.4160    0.8663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4946   -1.7057    0.1628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1135   -2.2687    0.1167 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1422   -1.4230   -0.5336 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1471   -1.2939    0.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3903   -1.9266    1.1496 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1444   -0.4386   -0.5810 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6087    0.1450   -1.7703 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    0.6975    0.3225 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6266    1.4864   -0.4564 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1864    2.6210    0.2697 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8311    2.8796    1.4399 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1262    3.4337   -0.3311 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2118   -3.4911   -0.7822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5542   -3.6196   -1.8176 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1006   -4.4625   -0.3545 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2048    1.8183    2.0428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2012    1.7930    0.3560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0242    1.7149    2.2872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7656    2.8633    0.8981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3212    1.0393   -0.6915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8521    0.6937    0.3499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7756   -0.1570    0.7880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4530   -0.5085    1.9534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9485   -1.6425   -0.8580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1461   -2.4581    0.7061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7329   -2.5895    1.1102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3704   -0.9114   -1.4276 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0547   -1.0147   -0.8563 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9249    0.9030   -1.6096 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2955    0.3206   -2.5141 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0567    0.2974    1.2613 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7760    1.3419    0.6164 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0977    1.8863   -1.3645 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4224    0.8124   -0.8531 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7924    4.0947   -1.0501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0428   -5.4234   -0.6596 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
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
  6 17  1  0
 17 18  2  0
 17 19  1  0
  1 20  1  0
  1 21  1  0
  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  6
 11 33  1  0
 11 34  1  0
 12 35  1  0
 12 36  1  0
 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
E-K	ChEBI
EK	ChEBI
L-Glu-L-lys	ChEBI
N2-a-Glutamyl-lysine	HMDB
N2-alpha-Glutamyl-lysine	HMDB
N2-L-a-Glutamyl-lysine	HMDB
N2-L-a-Glutamyllysine	HMDB
N2-L-alpha-Glutamyllysine	HMDB
α-Glu-Lys	HMDB
α-L-Glu-L-Lys	HMDB
α-Glutamyllysine	HMDB
α-L-Glutamyl-L-lysine	HMDB
L-α-Glutamyl-L-lysine	HMDB, Generator
N2-α-Glutamyllysine	HMDB
N2-α-L-Glutamyl-L-lysine	HMDB
N2-L-α-Glutamyllysine	HMDB
N2-L-α-Glutamyl-L-lysine	HMDB
alpha-Glu-Lys	HMDB
alpha-L-Glu-L-Lys	HMDB
alpha-Glutamyllysine	HMDB
alpha-L-Glutamyl-L-lysine	HMDB
L-alpha-Glutamyl-L-lysine	HMDB
N2-alpha-Glutamyllysine	HMDB
N2-alpha-L-Glutamyl-L-lysine	HMDB
N2-L-alpha-Glutamyl-L-lysine	HMDB
Glutamyllysine	HMDB
Glu-Lys	HMDB
L-Glutamyl-L-lysine	HMDB
N2-Glutamyllysine	HMDB
N2-L-Glutamyl-L-lysine	HMDB
Glutamyl-lysine	HMDB
Glutamic acid lysine dipeptide	HMDB
Glutamate lysine dipeptide	HMDB
Glutamic acid-lysine dipeptide	HMDB
Glutamate-lysine dipeptide	HMDB
E-K dipeptide	HMDB
EK dipeptide	HMDB
N2-L-alpha-Glutamyl-lysine	HMDB
L-a-Glutamyl-L-lysine	Generator, HMDB

Chemical Formula

C₁₁H₂₁N₃O₅

Average Molecular Weight

275.3015

Monoisotopic Molecular Weight

275.148120797

IUPAC Name

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

Traditional Name

L-α-glutamyl-L-lysine

CAS Registry Number

5891-53-2

SMILES

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

InChI Identifier

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

InChI Key

BBBXWRGITSUJPB-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
Glutamic acid or derivatives
N-acyl-l-alpha-amino acid
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
Dicarboxylic acid or derivatives
Fatty amide
N-acyl-amine
Fatty acyl
Fatty acid
Amino acid or derivatives
Carboxamide group
Carboxylic acid salt
Amino acid
Secondary carboxylic acid amide
Carboxylic acid
Organic salt
Hydrocarbon derivative
Primary aliphatic amine
Amine
Organic oxide
Organic oxygen compound
Organic nitrogen compound
Carbonyl group
Organopnictogen compound
Organic zwitterion
Organonitrogen compound
Organooxygen compound
Primary amine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

dipeptide (CHEBI:73521 )

Ontology

Physiological effect

Health effect

Nervous system disorder

Central nervous system disorder

Psychiatric disorder

Dementia (HMDB: HMDB0004207)

Disposition

Biological location

Biofluid or Excreta

Cerebrospinal fluid (HMDB: HMDB0004207)

Non-excretory biofluid

Biofluid or Excreta

Cerebrospinal Fluid (CSF) (PMID: 11739625)

Excreta

Biofluid or Excreta

Feces (PMID: 25037050)

Source

Endogenous

Endogenous (HMDB: HMDB0004207)

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

Industrial application

Pharmaceutical industry

Biomarker

Huntington's disease (MarkerDB: MDB00000443)

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	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	5.13 g/L	ALOGPS
logP	-3.9	ALOGPS
logP	-6.1	ChemAxon
logS	-1.7	ALOGPS
pKa (Strongest Acidic)	3.33	ChemAxon
pKa (Strongest Basic)	10.21	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	28.33 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]+	164.439	31661259
DarkChem	[M-H]-	162.365	31661259
DeepCCS	[M+H]+	172.014	30932474
DeepCCS	[M-H]-	169.656	30932474
DeepCCS	[M-2H]-	202.543	30932474
DeepCCS	[M+Na]+	178.107	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
Glutamyllysine	NCCCC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O	3547.5	Standard polar	33892256
Glutamyllysine	NCCCC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O	2441.4	Standard non polar	33892256
Glutamyllysine	NCCCC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O	2579.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Glutamyllysine,1TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)O	2505.8	Semi standard non polar	33892256
Glutamyllysine,1TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCC(=O)O	2485.7	Semi standard non polar	33892256
Glutamyllysine,1TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)O	2658.7	Semi standard non polar	33892256
Glutamyllysine,1TMS,isomer #4	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O	2584.8	Semi standard non polar	33892256
Glutamyllysine,1TMS,isomer #5	C[Si](C)(C)N(C(=O)[C@@H](N)CCC(=O)O)[C@@H](CCCCN)C(=O)O	2485.0	Semi standard non polar	33892256
Glutamyllysine,2TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C	2519.5	Semi standard non polar	33892256
Glutamyllysine,2TMS,isomer #10	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C	2598.9	Semi standard non polar	33892256
Glutamyllysine,2TMS,isomer #11	C[Si](C)(C)N([C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O)[Si](C)(C)C	2717.6	Semi standard non polar	33892256
Glutamyllysine,2TMS,isomer #12	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C	2543.1	Semi standard non polar	33892256
Glutamyllysine,2TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N[C@@H](CCCCN)C(=O)O	2557.8	Semi standard non polar	33892256
Glutamyllysine,2TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C)C(=O)O	2639.2	Semi standard non polar	33892256
Glutamyllysine,2TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C	2462.2	Semi standard non polar	33892256
Glutamyllysine,2TMS,isomer #5	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)O[Si](C)(C)C	2630.4	Semi standard non polar	33892256
Glutamyllysine,2TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C	2562.1	Semi standard non polar	33892256
Glutamyllysine,2TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CCCCN)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C	2462.5	Semi standard non polar	33892256
Glutamyllysine,2TMS,isomer #8	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)N[Si](C)(C)C)C(=O)O	2712.5	Semi standard non polar	33892256
Glutamyllysine,2TMS,isomer #9	C[Si](C)(C)N(CCCC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)O)[Si](C)(C)C	2811.5	Semi standard non polar	33892256
Glutamyllysine,3TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C	2562.4	Semi standard non polar	33892256
Glutamyllysine,3TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C	2548.3	Standard non polar	33892256
Glutamyllysine,3TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C	4001.6	Standard polar	33892256
Glutamyllysine,3TMS,isomer #10	C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H](N)CCC(=O)O	2798.2	Semi standard non polar	33892256
Glutamyllysine,3TMS,isomer #10	C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H](N)CCC(=O)O	2595.0	Standard non polar	33892256
Glutamyllysine,3TMS,isomer #10	C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H](N)CCC(=O)O	4266.0	Standard polar	33892256
Glutamyllysine,3TMS,isomer #11	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C	2573.1	Semi standard non polar	33892256
Glutamyllysine,3TMS,isomer #11	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C	2568.4	Standard non polar	33892256
Glutamyllysine,3TMS,isomer #11	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C	3935.6	Standard polar	33892256
Glutamyllysine,3TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2697.9	Semi standard non polar	33892256
Glutamyllysine,3TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2606.2	Standard non polar	33892256
Glutamyllysine,3TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4003.1	Standard polar	33892256
Glutamyllysine,3TMS,isomer #13	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2527.5	Semi standard non polar	33892256
Glutamyllysine,3TMS,isomer #13	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2534.6	Standard non polar	33892256
Glutamyllysine,3TMS,isomer #13	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3898.4	Standard polar	33892256
Glutamyllysine,3TMS,isomer #14	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2853.7	Semi standard non polar	33892256
Glutamyllysine,3TMS,isomer #14	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2693.9	Standard non polar	33892256
Glutamyllysine,3TMS,isomer #14	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3812.7	Standard polar	33892256
Glutamyllysine,3TMS,isomer #15	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O)N[Si](C)(C)C)[Si](C)(C)C	2636.4	Semi standard non polar	33892256
Glutamyllysine,3TMS,isomer #15	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O)N[Si](C)(C)C)[Si](C)(C)C	2679.2	Standard non polar	33892256
Glutamyllysine,3TMS,isomer #15	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O)N[Si](C)(C)C)[Si](C)(C)C	3609.3	Standard polar	33892256
Glutamyllysine,3TMS,isomer #16	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2836.5	Semi standard non polar	33892256
Glutamyllysine,3TMS,isomer #16	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2722.1	Standard non polar	33892256
Glutamyllysine,3TMS,isomer #16	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3759.1	Standard polar	33892256
Glutamyllysine,3TMS,isomer #17	C[Si](C)(C)N(C(=O)[C@@H](N)CCC(=O)O)[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2735.7	Semi standard non polar	33892256
Glutamyllysine,3TMS,isomer #17	C[Si](C)(C)N(C(=O)[C@@H](N)CCC(=O)O)[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2637.4	Standard non polar	33892256
Glutamyllysine,3TMS,isomer #17	C[Si](C)(C)N(C(=O)[C@@H](N)CCC(=O)O)[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4047.8	Standard polar	33892256
Glutamyllysine,3TMS,isomer #18	C[Si](C)(C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCCCN)C(=O)O	2662.1	Semi standard non polar	33892256
Glutamyllysine,3TMS,isomer #18	C[Si](C)(C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCCCN)C(=O)O	2612.0	Standard non polar	33892256
Glutamyllysine,3TMS,isomer #18	C[Si](C)(C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCCCN)C(=O)O	3964.4	Standard polar	33892256
Glutamyllysine,3TMS,isomer #2	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2641.3	Semi standard non polar	33892256
Glutamyllysine,3TMS,isomer #2	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2545.5	Standard non polar	33892256
Glutamyllysine,3TMS,isomer #2	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4224.3	Standard polar	33892256
Glutamyllysine,3TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2448.7	Semi standard non polar	33892256
Glutamyllysine,3TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2470.0	Standard non polar	33892256
Glutamyllysine,3TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4411.0	Standard polar	33892256
Glutamyllysine,3TMS,isomer #4	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2678.2	Semi standard non polar	33892256
Glutamyllysine,3TMS,isomer #4	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2684.8	Standard non polar	33892256
Glutamyllysine,3TMS,isomer #4	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	3721.1	Standard polar	33892256
Glutamyllysine,3TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2690.1	Semi standard non polar	33892256
Glutamyllysine,3TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2665.8	Standard non polar	33892256
Glutamyllysine,3TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4068.0	Standard polar	33892256
Glutamyllysine,3TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C	2512.1	Semi standard non polar	33892256
Glutamyllysine,3TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C	2570.7	Standard non polar	33892256
Glutamyllysine,3TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C	3916.6	Standard polar	33892256
Glutamyllysine,3TMS,isomer #7	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2800.7	Semi standard non polar	33892256
Glutamyllysine,3TMS,isomer #7	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2650.0	Standard non polar	33892256
Glutamyllysine,3TMS,isomer #7	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4337.0	Standard polar	33892256
Glutamyllysine,3TMS,isomer #8	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C)[Si](C)(C)C	2556.5	Semi standard non polar	33892256
Glutamyllysine,3TMS,isomer #8	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C)[Si](C)(C)C	2609.4	Standard non polar	33892256
Glutamyllysine,3TMS,isomer #8	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C)[Si](C)(C)C	3960.1	Standard polar	33892256
Glutamyllysine,3TMS,isomer #9	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2683.5	Semi standard non polar	33892256
Glutamyllysine,3TMS,isomer #9	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2644.1	Standard non polar	33892256
Glutamyllysine,3TMS,isomer #9	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3641.2	Standard polar	33892256
Glutamyllysine,4TMS,isomer #1	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2667.3	Semi standard non polar	33892256
Glutamyllysine,4TMS,isomer #1	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2686.1	Standard non polar	33892256
Glutamyllysine,4TMS,isomer #1	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3275.9	Standard polar	33892256
Glutamyllysine,4TMS,isomer #10	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2723.6	Semi standard non polar	33892256
Glutamyllysine,4TMS,isomer #10	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2687.8	Standard non polar	33892256
Glutamyllysine,4TMS,isomer #10	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3810.0	Standard polar	33892256
Glutamyllysine,4TMS,isomer #11	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2825.9	Semi standard non polar	33892256
Glutamyllysine,4TMS,isomer #11	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2706.3	Standard non polar	33892256
Glutamyllysine,4TMS,isomer #11	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3407.5	Standard polar	33892256
Glutamyllysine,4TMS,isomer #12	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O)N[Si](C)(C)C)[Si](C)(C)C	2613.3	Semi standard non polar	33892256
Glutamyllysine,4TMS,isomer #12	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O)N[Si](C)(C)C)[Si](C)(C)C	2692.6	Standard non polar	33892256
Glutamyllysine,4TMS,isomer #12	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O)N[Si](C)(C)C)[Si](C)(C)C	3243.4	Standard polar	33892256
Glutamyllysine,4TMS,isomer #13	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2798.5	Semi standard non polar	33892256
Glutamyllysine,4TMS,isomer #13	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2748.0	Standard non polar	33892256
Glutamyllysine,4TMS,isomer #13	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3337.7	Standard polar	33892256
Glutamyllysine,4TMS,isomer #14	C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C	2740.3	Semi standard non polar	33892256
Glutamyllysine,4TMS,isomer #14	C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C	2657.4	Standard non polar	33892256
Glutamyllysine,4TMS,isomer #14	C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C	3784.3	Standard polar	33892256
Glutamyllysine,4TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CCCCN)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2685.9	Semi standard non polar	33892256
Glutamyllysine,4TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CCCCN)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2659.6	Standard non polar	33892256
Glutamyllysine,4TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CCCCN)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3689.4	Standard polar	33892256
Glutamyllysine,4TMS,isomer #16	C[Si](C)(C)N(CCCC[C@H](NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2983.4	Semi standard non polar	33892256
Glutamyllysine,4TMS,isomer #16	C[Si](C)(C)N(CCCC[C@H](NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2807.2	Standard non polar	33892256
Glutamyllysine,4TMS,isomer #16	C[Si](C)(C)N(CCCC[C@H](NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3544.8	Standard polar	33892256
Glutamyllysine,4TMS,isomer #17	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2787.3	Semi standard non polar	33892256
Glutamyllysine,4TMS,isomer #17	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2743.6	Standard non polar	33892256
Glutamyllysine,4TMS,isomer #17	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3421.5	Standard polar	33892256
Glutamyllysine,4TMS,isomer #18	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2752.2	Semi standard non polar	33892256
Glutamyllysine,4TMS,isomer #18	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2780.8	Standard non polar	33892256
Glutamyllysine,4TMS,isomer #18	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3380.2	Standard polar	33892256
Glutamyllysine,4TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2669.3	Semi standard non polar	33892256
Glutamyllysine,4TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2666.7	Standard non polar	33892256
Glutamyllysine,4TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3772.6	Standard polar	33892256
Glutamyllysine,4TMS,isomer #3	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2477.8	Semi standard non polar	33892256
Glutamyllysine,4TMS,isomer #3	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2589.3	Standard non polar	33892256
Glutamyllysine,4TMS,isomer #3	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3690.4	Standard polar	33892256
Glutamyllysine,4TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2793.4	Semi standard non polar	33892256
Glutamyllysine,4TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2646.9	Standard non polar	33892256
Glutamyllysine,4TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4034.7	Standard polar	33892256
Glutamyllysine,4TMS,isomer #5	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C)[Si](C)(C)C	2527.8	Semi standard non polar	33892256
Glutamyllysine,4TMS,isomer #5	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C)[Si](C)(C)C	2616.3	Standard non polar	33892256
Glutamyllysine,4TMS,isomer #5	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C)[Si](C)(C)C	3740.0	Standard polar	33892256
Glutamyllysine,4TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2812.4	Semi standard non polar	33892256
Glutamyllysine,4TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2744.3	Standard non polar	33892256
Glutamyllysine,4TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3475.2	Standard polar	33892256
Glutamyllysine,4TMS,isomer #7	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2589.5	Semi standard non polar	33892256
Glutamyllysine,4TMS,isomer #7	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2718.8	Standard non polar	33892256
Glutamyllysine,4TMS,isomer #7	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	3272.7	Standard polar	33892256
Glutamyllysine,4TMS,isomer #8	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2786.0	Semi standard non polar	33892256
Glutamyllysine,4TMS,isomer #8	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2780.4	Standard non polar	33892256
Glutamyllysine,4TMS,isomer #8	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3421.7	Standard polar	33892256
Glutamyllysine,4TMS,isomer #9	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2668.5	Semi standard non polar	33892256
Glutamyllysine,4TMS,isomer #9	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2687.6	Standard non polar	33892256
Glutamyllysine,4TMS,isomer #9	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3713.9	Standard polar	33892256
Glutamyllysine,5TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2788.7	Semi standard non polar	33892256
Glutamyllysine,5TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2744.5	Standard non polar	33892256
Glutamyllysine,5TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3121.5	Standard polar	33892256
Glutamyllysine,5TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2780.4	Semi standard non polar	33892256
Glutamyllysine,5TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2757.7	Standard non polar	33892256
Glutamyllysine,5TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3109.7	Standard polar	33892256
Glutamyllysine,5TMS,isomer #11	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2762.2	Semi standard non polar	33892256
Glutamyllysine,5TMS,isomer #11	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2787.2	Standard non polar	33892256
Glutamyllysine,5TMS,isomer #11	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3045.8	Standard polar	33892256
Glutamyllysine,5TMS,isomer #12	C[Si](C)(C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2960.0	Semi standard non polar	33892256
Glutamyllysine,5TMS,isomer #12	C[Si](C)(C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2851.4	Standard non polar	33892256
Glutamyllysine,5TMS,isomer #12	C[Si](C)(C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3252.3	Standard polar	33892256
Glutamyllysine,5TMS,isomer #2	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2559.7	Semi standard non polar	33892256
Glutamyllysine,5TMS,isomer #2	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2721.2	Standard non polar	33892256
Glutamyllysine,5TMS,isomer #2	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2935.2	Standard polar	33892256
Glutamyllysine,5TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2736.6	Semi standard non polar	33892256
Glutamyllysine,5TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2783.9	Standard non polar	33892256
Glutamyllysine,5TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3044.1	Standard polar	33892256
Glutamyllysine,5TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2690.7	Semi standard non polar	33892256
Glutamyllysine,5TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2709.6	Standard non polar	33892256
Glutamyllysine,5TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3515.4	Standard polar	33892256
Glutamyllysine,5TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2713.5	Semi standard non polar	33892256
Glutamyllysine,5TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2707.6	Standard non polar	33892256
Glutamyllysine,5TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3625.5	Standard polar	33892256
Glutamyllysine,5TMS,isomer #6	C[Si](C)(C)OC(=O)CC[C@@H](C(=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	2971.3	Semi standard non polar	33892256
Glutamyllysine,5TMS,isomer #6	C[Si](C)(C)OC(=O)CC[C@@H](C(=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	2845.0	Standard non polar	33892256
Glutamyllysine,5TMS,isomer #6	C[Si](C)(C)OC(=O)CC[C@@H](C(=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	3259.6	Standard polar	33892256
Glutamyllysine,5TMS,isomer #7	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2758.5	Semi standard non polar	33892256
Glutamyllysine,5TMS,isomer #7	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2778.1	Standard non polar	33892256
Glutamyllysine,5TMS,isomer #7	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3140.8	Standard polar	33892256
Glutamyllysine,5TMS,isomer #8	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2739.4	Semi standard non polar	33892256
Glutamyllysine,5TMS,isomer #8	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2811.7	Standard non polar	33892256
Glutamyllysine,5TMS,isomer #8	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3086.3	Standard polar	33892256
Glutamyllysine,5TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2982.8	Semi standard non polar	33892256
Glutamyllysine,5TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2816.7	Standard non polar	33892256
Glutamyllysine,5TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3183.8	Standard polar	33892256
Glutamyllysine,6TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=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	2961.3	Semi standard non polar	33892256
Glutamyllysine,6TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=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	2848.2	Standard non polar	33892256
Glutamyllysine,6TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=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	2948.6	Standard polar	33892256
Glutamyllysine,6TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2751.8	Semi standard non polar	33892256
Glutamyllysine,6TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2790.1	Standard non polar	33892256
Glutamyllysine,6TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2872.7	Standard polar	33892256
Glutamyllysine,6TMS,isomer #3	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2766.4	Semi standard non polar	33892256
Glutamyllysine,6TMS,isomer #3	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2816.2	Standard non polar	33892256
Glutamyllysine,6TMS,isomer #3	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2816.3	Standard polar	33892256
Glutamyllysine,6TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@@H](C(=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	2970.6	Semi standard non polar	33892256
Glutamyllysine,6TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@@H](C(=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	2882.6	Standard non polar	33892256
Glutamyllysine,6TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@@H](C(=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	2987.7	Standard polar	33892256
Glutamyllysine,6TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2989.4	Semi standard non polar	33892256
Glutamyllysine,6TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2862.9	Standard non polar	33892256
Glutamyllysine,6TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2958.3	Standard polar	33892256
Glutamyllysine,7TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3008.0	Semi standard non polar	33892256
Glutamyllysine,7TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2892.7	Standard non polar	33892256
Glutamyllysine,7TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2812.4	Standard polar	33892256
Glutamyllysine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)O	2776.7	Semi standard non polar	33892256
Glutamyllysine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCC(=O)O	2751.4	Semi standard non polar	33892256
Glutamyllysine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)O	2911.3	Semi standard non polar	33892256
Glutamyllysine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O	2828.0	Semi standard non polar	33892256
Glutamyllysine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCC(=O)O)[C@@H](CCCCN)C(=O)O	2740.3	Semi standard non polar	33892256
Glutamyllysine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	3032.6	Semi standard non polar	33892256
Glutamyllysine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C(C)(C)C	3078.9	Semi standard non polar	33892256
Glutamyllysine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N([C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	3148.9	Semi standard non polar	33892256
Glutamyllysine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	3009.4	Semi standard non polar	33892256
Glutamyllysine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCCN)C(=O)O	3055.7	Semi standard non polar	33892256
Glutamyllysine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3154.5	Semi standard non polar	33892256
Glutamyllysine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	2980.1	Semi standard non polar	33892256
Glutamyllysine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3106.1	Semi standard non polar	33892256
Glutamyllysine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	3017.8	Semi standard non polar	33892256
Glutamyllysine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C(C)(C)C	2962.7	Semi standard non polar	33892256
Glutamyllysine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)N[Si](C)(C)C(C)(C)C)C(=O)O	3198.6	Semi standard non polar	33892256
Glutamyllysine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(CCCC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3262.0	Semi standard non polar	33892256
Glutamyllysine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	3278.2	Semi standard non polar	33892256
Glutamyllysine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	3075.8	Standard non polar	33892256
Glutamyllysine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	3889.1	Standard polar	33892256
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)[C@@H](N)CCC(=O)O	3452.3	Semi standard non polar	33892256
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)[C@@H](N)CCC(=O)O	3107.7	Standard non polar	33892256
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)[C@@H](N)CCC(=O)O	4094.7	Standard polar	33892256
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)[C@@H](N)CCC(=O)O)[Si](C)(C)C(C)(C)C	3289.3	Semi standard non polar	33892256
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)[C@@H](N)CCC(=O)O)[Si](C)(C)C(C)(C)C	3084.0	Standard non polar	33892256
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)[C@@H](N)CCC(=O)O)[Si](C)(C)C(C)(C)C	3896.4	Standard polar	33892256
Glutamyllysine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3382.7	Semi standard non polar	33892256
Glutamyllysine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3090.6	Standard non polar	33892256
Glutamyllysine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3871.0	Standard polar	33892256
Glutamyllysine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3224.2	Semi standard non polar	33892256
Glutamyllysine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3054.0	Standard non polar	33892256
Glutamyllysine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3834.9	Standard polar	33892256
Glutamyllysine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3522.0	Semi standard non polar	33892256
Glutamyllysine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3182.2	Standard non polar	33892256
Glutamyllysine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3762.8	Standard polar	33892256
Glutamyllysine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3350.6	Semi standard non polar	33892256
Glutamyllysine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3115.2	Standard non polar	33892256
Glutamyllysine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3639.7	Standard polar	33892256
Glutamyllysine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3537.3	Semi standard non polar	33892256
Glutamyllysine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3181.6	Standard non polar	33892256
Glutamyllysine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3714.9	Standard polar	33892256
Glutamyllysine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCC(=O)O)[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3398.0	Semi standard non polar	33892256
Glutamyllysine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCC(=O)O)[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3120.7	Standard non polar	33892256
Glutamyllysine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCC(=O)O)[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3953.9	Standard polar	33892256
Glutamyllysine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCCCN)C(=O)O	3352.4	Semi standard non polar	33892256
Glutamyllysine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCCCN)C(=O)O	3097.1	Standard non polar	33892256
Glutamyllysine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCCCN)C(=O)O	3861.0	Standard polar	33892256
Glutamyllysine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3336.1	Semi standard non polar	33892256
Glutamyllysine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3088.3	Standard non polar	33892256
Glutamyllysine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4073.6	Standard polar	33892256
Glutamyllysine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3207.8	Semi standard non polar	33892256
Glutamyllysine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3030.7	Standard non polar	33892256
Glutamyllysine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4287.8	Standard polar	33892256
Glutamyllysine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3396.4	Semi standard non polar	33892256
Glutamyllysine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3156.2	Standard non polar	33892256
Glutamyllysine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3670.2	Standard polar	33892256
Glutamyllysine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3412.2	Semi standard non polar	33892256
Glutamyllysine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3132.9	Standard non polar	33892256
Glutamyllysine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3911.1	Standard polar	33892256
Glutamyllysine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	3240.2	Semi standard non polar	33892256
Glutamyllysine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	3079.4	Standard non polar	33892256
Glutamyllysine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	3846.9	Standard polar	33892256
Glutamyllysine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3488.6	Semi standard non polar	33892256
Glutamyllysine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3147.0	Standard non polar	33892256
Glutamyllysine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4137.0	Standard polar	33892256
Glutamyllysine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3307.9	Semi standard non polar	33892256
Glutamyllysine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3108.5	Standard non polar	33892256
Glutamyllysine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3910.8	Standard polar	33892256
Glutamyllysine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3360.0	Semi standard non polar	33892256
Glutamyllysine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3119.4	Standard non polar	33892256
Glutamyllysine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3627.0	Standard polar	33892256
Glutamyllysine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3546.9	Semi standard non polar	33892256
Glutamyllysine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3294.5	Standard non polar	33892256
Glutamyllysine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3489.6	Standard polar	33892256
Glutamyllysine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=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	3619.1	Semi standard non polar	33892256
Glutamyllysine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=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	3312.9	Standard non polar	33892256
Glutamyllysine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=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	3845.8	Standard polar	33892256
Glutamyllysine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=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	3698.3	Semi standard non polar	33892256
Glutamyllysine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=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	3318.6	Standard non polar	33892256
Glutamyllysine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=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	3574.1	Standard polar	33892256
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)[C@H](CCC(=O)O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3530.2	Semi standard non polar	33892256
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)[C@H](CCC(=O)O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3277.4	Standard non polar	33892256
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)[C@H](CCC(=O)O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3489.3	Standard polar	33892256
Glutamyllysine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3725.7	Semi standard non polar	33892256
Glutamyllysine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3329.4	Standard non polar	33892256
Glutamyllysine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3519.9	Standard polar	33892256
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)[C@@H](N)CCC(=O)O)[Si](C)(C)C(C)(C)C	3607.7	Semi standard non polar	33892256
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)[C@@H](N)CCC(=O)O)[Si](C)(C)C(C)(C)C	3298.2	Standard non polar	33892256
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)[C@@H](N)CCC(=O)O)[Si](C)(C)C(C)(C)C	3831.2	Standard polar	33892256
Glutamyllysine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3577.7	Semi standard non polar	33892256
Glutamyllysine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3285.4	Standard non polar	33892256
Glutamyllysine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3737.8	Standard polar	33892256
Glutamyllysine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(CCCC[C@H](NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3850.1	Semi standard non polar	33892256
Glutamyllysine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(CCCC[C@H](NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3388.3	Standard non polar	33892256
Glutamyllysine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(CCCC[C@H](NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3649.4	Standard polar	33892256
Glutamyllysine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=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	3660.2	Semi standard non polar	33892256
Glutamyllysine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=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	3326.7	Standard non polar	33892256
Glutamyllysine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=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	3600.0	Standard polar	33892256
Glutamyllysine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3692.0	Semi standard non polar	33892256
Glutamyllysine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3344.3	Standard non polar	33892256
Glutamyllysine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3562.2	Standard polar	33892256
Glutamyllysine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=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	3634.5	Semi standard non polar	33892256
Glutamyllysine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=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	3285.2	Standard non polar	33892256
Glutamyllysine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=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	3753.3	Standard polar	33892256
Glutamyllysine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3432.8	Semi standard non polar	33892256
Glutamyllysine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3248.1	Standard non polar	33892256
Glutamyllysine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3726.2	Standard polar	33892256
Glutamyllysine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=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	3682.1	Semi standard non polar	33892256
Glutamyllysine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=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	3297.5	Standard non polar	33892256
Glutamyllysine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=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	3942.4	Standard polar	33892256
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)[C@@H](N)CCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3485.2	Semi standard non polar	33892256
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)[C@@H](N)CCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3271.6	Standard non polar	33892256
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)[C@@H](N)CCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3794.9	Standard polar	33892256
Glutamyllysine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3718.5	Semi standard non polar	33892256
Glutamyllysine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3354.3	Standard non polar	33892256
Glutamyllysine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3604.9	Standard polar	33892256
Glutamyllysine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3546.4	Semi standard non polar	33892256
Glutamyllysine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3296.8	Standard non polar	33892256
Glutamyllysine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3503.1	Standard polar	33892256
Glutamyllysine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3758.8	Semi standard non polar	33892256
Glutamyllysine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3362.8	Standard non polar	33892256
Glutamyllysine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3561.4	Standard polar	33892256
Glutamyllysine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=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	3590.2	Semi standard non polar	33892256
Glutamyllysine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=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	3306.5	Standard non polar	33892256
Glutamyllysine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=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	3750.7	Standard polar	33892256
Glutamyllysine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](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	3909.3	Semi standard non polar	33892256
Glutamyllysine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](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	3482.3	Standard non polar	33892256
Glutamyllysine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](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	3450.4	Standard polar	33892256
Glutamyllysine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=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	3866.4	Semi standard non polar	33892256
Glutamyllysine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=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	3479.8	Standard non polar	33892256
Glutamyllysine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=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	3448.8	Standard polar	33892256
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)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3901.8	Semi standard non polar	33892256
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)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3503.9	Standard non polar	33892256
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)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3411.8	Standard polar	33892256
Glutamyllysine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3991.7	Semi standard non polar	33892256
Glutamyllysine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3552.9	Standard non polar	33892256
Glutamyllysine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3506.8	Standard polar	33892256
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)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3688.4	Semi standard non polar	33892256
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)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3447.8	Standard non polar	33892256
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)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3381.6	Standard polar	33892256
Glutamyllysine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3937.6	Semi standard non polar	33892256
Glutamyllysine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3498.3	Standard non polar	33892256
Glutamyllysine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3397.6	Standard polar	33892256
Glutamyllysine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3815.7	Semi standard non polar	33892256
Glutamyllysine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3467.2	Standard non polar	33892256
Glutamyllysine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3660.7	Standard polar	33892256
Glutamyllysine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=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	3833.7	Semi standard non polar	33892256
Glutamyllysine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=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	3468.3	Standard non polar	33892256
Glutamyllysine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=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	3761.0	Standard polar	33892256
Glutamyllysine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=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	4075.5	Semi standard non polar	33892256
Glutamyllysine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=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	3552.0	Standard non polar	33892256
Glutamyllysine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=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	3489.7	Standard polar	33892256
Glutamyllysine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](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	3869.5	Semi standard non polar	33892256
Glutamyllysine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](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	3491.4	Standard non polar	33892256
Glutamyllysine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](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	3462.5	Standard polar	33892256
Glutamyllysine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3910.8	Semi standard non polar	33892256
Glutamyllysine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3518.0	Standard non polar	33892256
Glutamyllysine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3426.9	Standard polar	33892256
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)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4054.8	Semi standard non polar	33892256
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)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3529.2	Standard non polar	33892256
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)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3453.7	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Glutamyllysine GC-MS (Non-derivatized) - 70eV, Positive	splash10-0f89-7940000000-eca890c42ae6e7b1a500	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutamyllysine GC-MS (2 TMS) - 70eV, Positive	splash10-00ec-9312000000-2d9010243a6fb8c34f9a	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutamyllysine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 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 - Glutamyllysine 10V, Positive-QTOF	splash10-0a4i-0290000000-53bb2cbe87e51cdc8c3d	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamyllysine 20V, Positive-QTOF	splash10-0uei-6980000000-2f0331667d540797338f	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamyllysine 40V, Positive-QTOF	splash10-0a4i-9200000000-f22342ddd828b5d10677	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamyllysine 10V, Negative-QTOF	splash10-00di-0090000000-0d38cbef5f3e9b6ad2f3	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamyllysine 20V, Negative-QTOF	splash10-05c2-1790000000-01b3a430570ce2c6482b	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamyllysine 40V, Negative-QTOF	splash10-004j-6900000000-e52f2a49ad96634a219c	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamyllysine 10V, Positive-QTOF	splash10-004j-0690000000-0e960775d4beeef605ac	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamyllysine 20V, Positive-QTOF	splash10-0f89-7970000000-4863aabdbd3b7a54ad3b	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamyllysine 40V, Positive-QTOF	splash10-052r-9100000000-15e321d845df9b1acad5	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamyllysine 10V, Negative-QTOF	splash10-05fr-0090000000-1c9639c3ad4f25da3f58	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamyllysine 20V, Negative-QTOF	splash10-05i1-1970000000-4010465b012a24ce2961	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamyllysine 40V, Negative-QTOF	splash10-0006-9600000000-1e5789d6c070ee5bee99	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Cerebrospinal Fluid (CSF)
Feces

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Cerebrospinal Fluid (CSF)	Detected and Quantified	0.23 +/- 0.04 uM	Adult (>18 years old)	Both	Normal	11739625	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	25037050	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Cerebrospinal Fluid (CSF)	Detected and Quantified	0.15 +/- 0.07 uM	Adult (>18 years old)	Both	Dementia - unspecified cause	11739625	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	0.70 (0.66-0.74) uM	Adult (>18 years old)	Both	Huntington's Disease	11739625	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Colorectal cancer	25037050	details

Associated Disorders and Diseases

Disease References

Dementia
Jeitner TM, Bogdanov MB, Matson WR, Daikhin Y, Yudkoff M, Folk JE, Steinman L, Browne SE, Beal MF, Blass JP, Cooper AJ: N(epsilon)-(gamma-L-glutamyl)-L-lysine (GGEL) is increased in cerebrospinal fluid of patients with Huntington's disease. J Neurochem. 2001 Dec;79(5):1109-12. [PubMed:11739625 ]
Huntington's disease
Jeitner TM, Bogdanov MB, Matson WR, Daikhin Y, Yudkoff M, Folk JE, Steinman L, Browne SE, Beal MF, Blass JP, Cooper AJ: N(epsilon)-(gamma-L-glutamyl)-L-lysine (GGEL) is increased in cerebrospinal fluid of patients with Huntington's disease. J Neurochem. 2001 Dec;79(5):1109-12. [PubMed:11739625 ]
Colorectal cancer
Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18. [PubMed:25037050 ]

Associated OMIM IDs

167320 (Dementia)
143100 (Huntington's disease)
114500 (Colorectal cancer)

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB023334

KNApSAcK ID

Not Available

Chemspider ID

5378736

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

7015704

PDB ID

Not Available

ChEBI ID

73521

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

MDB00000443

Good Scents ID

Not Available

References

Synthesis Reference

Khosla, M. C.; Anand, Nitya. Synthesis of Na-(a-glutamyl and aspartyl)lysines. Journal of Scientific and Industrial Research, Section B: Physical Sciences (1962), 21B 287-9.

Material Safety Data Sheet (MSDS)

Not Available

General References

Jeitner TM, Bogdanov MB, Matson WR, Daikhin Y, Yudkoff M, Folk JE, Steinman L, Browne SE, Beal MF, Blass JP, Cooper AJ: N(epsilon)-(gamma-L-glutamyl)-L-lysine (GGEL) is increased in cerebrospinal fluid of patients with Huntington's disease. J Neurochem. 2001 Dec;79(5):1109-12. [PubMed:11739625 ]
Vig BS, Stouch TR, Timoszyk JK, Quan Y, Wall DA, Smith RL, Faria TN: Human PEPT1 pharmacophore distinguishes between dipeptide transport and binding. J Med Chem. 2006 Jun 15;49(12):3636-44. [PubMed:16759105 ]
van Rossum EF, Koper JW, Huizenga NA, Uitterlinden AG, Janssen JA, Brinkmann AO, Grobbee DE, de Jong FH, van Duyn CM, Pols HA, Lamberts SW: A polymorphism in the glucocorticoid receptor gene, which decreases sensitivity to glucocorticoids in vivo, is associated with low insulin and cholesterol levels. Diabetes. 2002 Oct;51(10):3128-34. [PubMed:12351458 ]
Russcher H, van Rossum EF, de Jong FH, Brinkmann AO, Lamberts SW, Koper JW: Increased expression of the glucocorticoid receptor-A translational isoform as a result of the ER22/23EK polymorphism. Mol Endocrinol. 2005 Jul;19(7):1687-96. Epub 2005 Mar 3. [PubMed:15746190 ]
De Kruyff RH, Ju ST, Laning J, Dorf ME: Analysis of T cell responses to poly-L(GluLys) at the clonal level. I. Presence of responsive clones in nonresponder mice. Eur J Immunol. 1987 Aug;17(8):1115-20. [PubMed:2441997 ]

Showing metabocard for Glutamyllysine (HMDB0004207)

MOL for HMDB0004207 (Glutamyllysine)

3D MOL for HMDB0004207 (Glutamyllysine)

3D SDF for HMDB0004207 (Glutamyllysine)

3D-SDF for HMDB0004207 (Glutamyllysine)

PDB for HMDB0004207 (Glutamyllysine)

3D PDB for HMDB0004207 (Glutamyllysine)

SMILES for HMDB0004207 (Glutamyllysine)

INCHI for HMDB0004207 (Glutamyllysine)

Structure for HMDB0004207 (Glutamyllysine)

3D Structure for HMDB0004207 (Glutamyllysine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra