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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-06 21:03:08 UTC

Update Date

2021-09-14 15:47:05 UTC

HMDB ID

HMDB0028960

Secondary Accession Numbers

HMDB28960

Metabolite Identification

Common Name

Lysylserine

Description

Lysylserine is a dipeptide composed of lysine and serine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.

Structure

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

HMDB0028960
     RDKit          3D
Lysylserine
 35 34  0  0  0  0  0  0  0  0999 V2000
    4.7003   -0.7259    0.6806 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0874    0.5311    1.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6853    1.3253   -0.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6992    0.6119   -1.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4579    0.3292   -0.2362 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4049   -0.3948   -1.0501 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0095    0.3571   -2.1941 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7205   -0.7235   -0.1377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5397   -1.3787    0.9163 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0362   -0.3008   -0.4393 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1460   -0.6106    0.4362 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7854    0.6632    0.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8491    0.3314    1.7284 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1537   -1.3959   -0.3235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9641   -1.6867   -1.5330 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3004   -1.7923    0.3455 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6323   -0.8466    1.1299 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7072   -0.8482   -0.3427 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8248    1.1787    1.6116 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2758    0.3307    1.7515 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2705    2.2917    0.1370 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6091    1.4982   -0.7567 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1265   -0.2917   -1.5059 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4294    1.3028   -1.8625 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0755    1.2996    0.1412 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7156   -0.3134    0.6069 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -1.3647   -1.4129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3511   -0.2192   -2.9853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5343    1.2127   -2.0034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1956    0.2465   -1.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7682   -1.1848    1.2905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0508    1.2590    1.4635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1647    1.2278   -0.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7156    0.6033    1.2913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2209   -2.5223    1.0456 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
  6  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  2  0
 14 16  1  0
  1 17  1  0
  1 18  1  0
  2 19  1  0
  2 20  1  0
  3 21  1  0
  3 22  1  0
  4 23  1  0
  4 24  1  0
  5 25  1  0
  5 26  1  0
  6 27  1  6
  7 28  1  0
  7 29  1  0
 10 30  1  0
 11 31  1  1
 12 32  1  0
 12 33  1  0
 13 34  1  0
 16 35  1  0
M  END


  Mrv1652304062014002D          

 16 15  0  0  0  0            999 V2000
10001.807510000.0195    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10001.0931 9999.6070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10000.378610000.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6633 9999.6070    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.949310000.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2353 9999.6070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.519210000.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.8051 9999.6070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.089010000.0195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6633 9998.7821    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10000.378610000.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.5220 9999.6070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.236410000.0195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.807510000.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.522010001.2578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.093110001.2578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  1 14  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0028960

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C9H19N3O4/c10-4-2-1-3-6(11)8(14)12-7(5-13)9(15)16/h6-7,13H,1-5,10-11H2,(H,12,14)(H,15,16)/t6-,7-/m0/s1

> <INCHI_KEY>
YSZNURNVYFUEHC-BQBZGAKWSA-N

> <FORMULA>
C9H19N3O4

> <MOLECULAR_WEIGHT>
233.268

> <EXACT_MASS>
233.137556104

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
35

> <JCHEM_AVERAGE_POLARIZABILITY>
24.3038593931334

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-[(2S)-2,6-diaminohexanamido]-3-hydroxypropanoic acid

> <ALOGPS_LOGP>
-3.46

> <JCHEM_LOGP>
-4.679823460445163

> <ALOGPS_LOGS>
-1.03

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
12.97769892358474

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.5048690321908857

> <JCHEM_PKA_STRONGEST_BASIC>
10.211295413691307

> <JCHEM_POLAR_SURFACE_AREA>
138.67

> <JCHEM_REFRACTIVITY>
56.6506

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.17e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-[(2S)-2,6-diaminohexanamido]-3-hydroxypropanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0028960
     RDKit          3D
Lysylserine
 35 34  0  0  0  0  0  0  0  0999 V2000
    4.7003   -0.7259    0.6806 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0874    0.5311    1.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6853    1.3253   -0.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6992    0.6119   -1.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4579    0.3292   -0.2362 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4049   -0.3948   -1.0501 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0095    0.3571   -2.1941 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7205   -0.7235   -0.1377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5397   -1.3787    0.9163 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0362   -0.3008   -0.4393 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1460   -0.6106    0.4362 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7854    0.6632    0.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8491    0.3314    1.7284 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1537   -1.3959   -0.3235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9641   -1.6867   -1.5330 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3004   -1.7923    0.3455 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6323   -0.8466    1.1299 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7072   -0.8482   -0.3427 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8248    1.1787    1.6116 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2758    0.3307    1.7515 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2705    2.2917    0.1370 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6091    1.4982   -0.7567 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1265   -0.2917   -1.5059 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4294    1.3028   -1.8625 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0755    1.2996    0.1412 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7156   -0.3134    0.6069 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -1.3647   -1.4129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3511   -0.2192   -2.9853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5343    1.2127   -2.0034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1956    0.2465   -1.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7682   -1.1848    1.2905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0508    1.2590    1.4635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1647    1.2278   -0.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7156    0.6033    1.2913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2209   -2.5223    1.0456 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
  6  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  2  0
 14 16  1  0
  1 17  1  0
  1 18  1  0
  2 19  1  0
  2 20  1  0
  3 21  1  0
  3 22  1  0
  4 23  1  0
  4 24  1  0
  5 25  1  0
  5 26  1  0
  6 27  1  6
  7 28  1  0
  7 29  1  0
 10 30  1  0
 11 31  1  1
 12 32  1  0
 12 33  1  0
 13 34  1  0
 16 35  1  0
M  END

HEADER    PROTEIN                                 06-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-APR-20         0                                  
HETATM    1  C   UNK     0    8670.0418666.703   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0    8668.7078665.933   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0    8667.3738666.703   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    8666.0388665.933   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0    8664.7058666.703   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    8663.3738665.933   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8662.0368666.703   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8660.7038665.933   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0    8659.3668666.703   0.000  0.00  0.00           N+0
HETATM   10  N   UNK     0    8666.0388664.393   0.000  0.00  0.00           N+0
HETATM   11  O   UNK     0    8667.3738668.244   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0    8671.3748665.933   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0    8672.7088666.703   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0    8670.0418668.244   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0    8671.3748669.015   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0    8668.7078669.015   0.000  0.00  0.00           O+0
CONECT    1    2   12   14                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4   11                                                  
CONECT    4    3    5   10                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8                                                            
CONECT   10    4                                                            
CONECT   11    3                                                            
CONECT   12    1   13                                                       
CONECT   13   12                                                            
CONECT   14    1   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14                                                            
MASTER        0    0    0    0    0    0    0    0   16    0   30    0
END

COMPND    HMDB0028960
HETATM    1  N1  UNL     1       4.700  -0.726   0.681  1.00  0.00           N  
HETATM    2  C1  UNL     1       4.087   0.531   1.052  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.685   1.325  -0.162  1.00  0.00           C  
HETATM    4  C3  UNL     1       2.699   0.612  -1.033  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.458   0.329  -0.236  1.00  0.00           C  
HETATM    6  C5  UNL     1       0.405  -0.395  -1.050  1.00  0.00           C  
HETATM    7  N2  UNL     1      -0.009   0.357  -2.194  1.00  0.00           N  
HETATM    8  C6  UNL     1      -0.721  -0.723  -0.138  1.00  0.00           C  
HETATM    9  O1  UNL     1      -0.540  -1.379   0.916  1.00  0.00           O  
HETATM   10  N3  UNL     1      -2.036  -0.301  -0.439  1.00  0.00           N  
HETATM   11  C7  UNL     1      -3.146  -0.611   0.436  1.00  0.00           C  
HETATM   12  C8  UNL     1      -3.785   0.663   0.888  1.00  0.00           C  
HETATM   13  O2  UNL     1      -4.849   0.331   1.728  1.00  0.00           O  
HETATM   14  C9  UNL     1      -4.154  -1.396  -0.324  1.00  0.00           C  
HETATM   15  O3  UNL     1      -3.964  -1.687  -1.533  1.00  0.00           O  
HETATM   16  O4  UNL     1      -5.300  -1.792   0.346  1.00  0.00           O  
HETATM   17  H1  UNL     1       5.632  -0.847   1.130  1.00  0.00           H  
HETATM   18  H2  UNL     1       4.707  -0.848  -0.343  1.00  0.00           H  
HETATM   19  H3  UNL     1       4.825   1.179   1.612  1.00  0.00           H  
HETATM   20  H4  UNL     1       3.276   0.331   1.752  1.00  0.00           H  
HETATM   21  H5  UNL     1       3.270   2.292   0.137  1.00  0.00           H  
HETATM   22  H6  UNL     1       4.609   1.498  -0.757  1.00  0.00           H  
HETATM   23  H7  UNL     1       3.127  -0.292  -1.506  1.00  0.00           H  
HETATM   24  H8  UNL     1       2.429   1.303  -1.862  1.00  0.00           H  
HETATM   25  H9  UNL     1       1.076   1.300   0.141  1.00  0.00           H  
HETATM   26  H10 UNL     1       1.716  -0.313   0.607  1.00  0.00           H  
HETATM   27  H11 UNL     1       0.804  -1.365  -1.413  1.00  0.00           H  
HETATM   28  H12 UNL     1      -0.351  -0.219  -2.985  1.00  0.00           H  
HETATM   29  H13 UNL     1      -0.534   1.213  -2.003  1.00  0.00           H  
HETATM   30  H14 UNL     1      -2.196   0.246  -1.317  1.00  0.00           H  
HETATM   31  H15 UNL     1      -2.768  -1.185   1.291  1.00  0.00           H  
HETATM   32  H16 UNL     1      -3.051   1.259   1.464  1.00  0.00           H  
HETATM   33  H17 UNL     1      -4.165   1.228  -0.002  1.00  0.00           H  
HETATM   34  H18 UNL     1      -5.716   0.603   1.291  1.00  0.00           H  
HETATM   35  H19 UNL     1      -5.221  -2.522   1.046  1.00  0.00           H  
CONECT    1    2   17   18
CONECT    2    3   19   20
CONECT    3    4   21   22
CONECT    4    5   23   24
CONECT    5    6   25   26
CONECT    6    7    8   27
CONECT    7   28   29
CONECT    8    9    9   10
CONECT   10   11   30
CONECT   11   12   14   31
CONECT   12   13   32   33
CONECT   13   34
CONECT   14   15   15   16
CONECT   16   35
END

HMDB0028960
     RDKit          3D
Lysylserine
 35 34  0  0  0  0  0  0  0  0999 V2000
    4.7003   -0.7259    0.6806 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0874    0.5311    1.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6853    1.3253   -0.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6992    0.6119   -1.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4579    0.3292   -0.2362 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4049   -0.3948   -1.0501 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0095    0.3571   -2.1941 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7205   -0.7235   -0.1377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5397   -1.3787    0.9163 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0362   -0.3008   -0.4393 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1460   -0.6106    0.4362 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7854    0.6632    0.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8491    0.3314    1.7284 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1537   -1.3959   -0.3235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9641   -1.6867   -1.5330 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3004   -1.7923    0.3455 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6323   -0.8466    1.1299 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7072   -0.8482   -0.3427 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8248    1.1787    1.6116 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2758    0.3307    1.7515 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2705    2.2917    0.1370 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6091    1.4982   -0.7567 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1265   -0.2917   -1.5059 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4294    1.3028   -1.8625 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0755    1.2996    0.1412 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7156   -0.3134    0.6069 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -1.3647   -1.4129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3511   -0.2192   -2.9853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5343    1.2127   -2.0034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1956    0.2465   -1.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7682   -1.1848    1.2905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0508    1.2590    1.4635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1647    1.2278   -0.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7156    0.6033    1.2913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2209   -2.5223    1.0456 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
  6  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  2  0
 14 16  1  0
  1 17  1  0
  1 18  1  0
  2 19  1  0
  2 20  1  0
  3 21  1  0
  3 22  1  0
  4 23  1  0
  4 24  1  0
  5 25  1  0
  5 26  1  0
  6 27  1  6
  7 28  1  0
  7 29  1  0
 10 30  1  0
 11 31  1  1
 12 32  1  0
 12 33  1  0
 13 34  1  0
 16 35  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
KS	ChEBI
L-Lys-L-ser	ChEBI
Lysyl-serine	ChEBI
Lysyl-serine, mono-acetate salt	HMDB
Lysyl-serine, (D-lys-L-ser)-isomer	HMDB
Lysyl-serine, bis(trifluoroacetate) salt	HMDB
TCMP-80	HMDB
Lysyl-serine dihydrochloride	HMDB
T Cell modulatory peptide	HMDB
K-S Dipeptide	HMDB
KS Dipeptide	HMDB
L-Lysyl-L-serine	HMDB
Lys-ser	HMDB
Lysine serine dipeptide	HMDB
Lysine-serine dipeptide	HMDB
N-L-Lysyl-L-serine	HMDB
N-Lysylserine	HMDB
Lysylserine	ChEBI

Chemical Formula

C₉H₁₉N₃O₄

Average Molecular Weight

233.268

Monoisotopic Molecular Weight

233.137556104

IUPAC Name

(2S)-2-[(2S)-2,6-diaminohexanamido]-3-hydroxypropanoic acid

Traditional Name

(2S)-2-[(2S)-2,6-diaminohexanamido]-3-hydroxypropanoic acid

CAS Registry Number

6665-19-6

SMILES

NCCCC[C@H](N)C(=O)N[C@@H](CO)C(O)=O

InChI Identifier

InChI=1S/C9H19N3O4/c10-4-2-1-3-6(11)8(14)12-7(5-13)9(15)16/h6-7,13H,1-5,10-11H2,(H,12,14)(H,15,16)/t6-,7-/m0/s1

InChI Key

YSZNURNVYFUEHC-BQBZGAKWSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Dipeptides

Alternative Parents

Substituents

Alpha-dipeptide
N-acyl-l-alpha-amino acid
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Serine or derivatives
Alpha-amino acid or derivatives
Beta-hydroxy acid
Fatty amide
Hydroxy acid
N-acyl-amine
Fatty acyl
Amino acid or derivatives
Carboxamide group
Amino acid
Secondary carboxylic acid amide
Monocarboxylic acid or derivatives
Carboxylic acid
Organic oxygen compound
Hydrocarbon derivative
Primary aliphatic amine
Organic nitrogen compound
Organic oxide
Carbonyl group
Organopnictogen compound
Alcohol
Amine
Primary amine
Organonitrogen compound
Organooxygen compound
Primary alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

dipeptide (CHEBI:74568 )

Ontology

Not Available

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

Equine

Horse (FooDB: FOOD00378)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

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

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

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

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	-4.61	Extrapolated

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	21.7 g/L	ALOGPS
logP	-3.5	ALOGPS
logP	-4.7	ChemAxon
logS	-1	ALOGPS
pKa (Strongest Acidic)	3.5	ChemAxon
pKa (Strongest Basic)	10.21	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	138.67 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	56.65 m³·mol⁻¹	ChemAxon
Polarizability	24.3 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	156.805	30932474
DeepCCS	[M-H]-	154.447	30932474
DeepCCS	[M-2H]-	187.333	30932474
DeepCCS	[M+Na]+	162.898	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Lysylserine	NCCCC[C@H](N)C(=O)N[C@@H](CO)C(O)=O	3173.5	Standard polar	33892256
Lysylserine	NCCCC[C@H](N)C(=O)N[C@@H](CO)C(O)=O	2227.7	Standard non polar	33892256
Lysylserine	NCCCC[C@H](N)C(=O)N[C@@H](CO)C(O)=O	2287.8	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Lysylserine,1TMS,isomer #1	C[Si](C)(C)OC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O	2219.0	Semi standard non polar	33892256
Lysylserine,1TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN	2197.1	Semi standard non polar	33892256
Lysylserine,1TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CO)C(=O)O	2362.8	Semi standard non polar	33892256
Lysylserine,1TMS,isomer #4	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O	2275.0	Semi standard non polar	33892256
Lysylserine,1TMS,isomer #5	C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN)[C@@H](CO)C(=O)O	2167.0	Semi standard non polar	33892256
Lysylserine,2TMS,isomer #1	C[Si](C)(C)OC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O[Si](C)(C)C	2204.1	Semi standard non polar	33892256
Lysylserine,2TMS,isomer #10	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CO)C(=O)O)[Si](C)(C)C	2277.2	Semi standard non polar	33892256
Lysylserine,2TMS,isomer #11	C[Si](C)(C)N([C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O)[Si](C)(C)C	2390.0	Semi standard non polar	33892256
Lysylserine,2TMS,isomer #12	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CO)C(=O)O)[Si](C)(C)C	2232.7	Semi standard non polar	33892256
Lysylserine,2TMS,isomer #2	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CO[Si](C)(C)C)C(=O)O	2266.9	Semi standard non polar	33892256
Lysylserine,2TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CO[Si](C)(C)C)C(=O)O	2321.7	Semi standard non polar	33892256
Lysylserine,2TMS,isomer #4	C[Si](C)(C)OC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C	2202.0	Semi standard non polar	33892256
Lysylserine,2TMS,isomer #5	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O[Si](C)(C)C	2266.0	Semi standard non polar	33892256
Lysylserine,2TMS,isomer #6	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CO)C(=O)O[Si](C)(C)C	2345.3	Semi standard non polar	33892256
Lysylserine,2TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CO)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C	2160.4	Semi standard non polar	33892256
Lysylserine,2TMS,isomer #8	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CO)C(=O)O	2393.2	Semi standard non polar	33892256
Lysylserine,2TMS,isomer #9	C[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CO)C(=O)O)[Si](C)(C)C	2502.3	Semi standard non polar	33892256
Lysylserine,3TMS,isomer #1	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CO[Si](C)(C)C)C(=O)O[Si](C)(C)C	2285.8	Semi standard non polar	33892256
Lysylserine,3TMS,isomer #1	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CO[Si](C)(C)C)C(=O)O[Si](C)(C)C	2306.1	Standard non polar	33892256
Lysylserine,3TMS,isomer #10	C[Si](C)(C)OC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C	2407.3	Semi standard non polar	33892256
Lysylserine,3TMS,isomer #10	C[Si](C)(C)OC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C	2390.2	Standard non polar	33892256
Lysylserine,3TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CO)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2226.8	Semi standard non polar	33892256
Lysylserine,3TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CO)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2333.6	Standard non polar	33892256
Lysylserine,3TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C	2504.3	Semi standard non polar	33892256
Lysylserine,3TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C	2378.3	Standard non polar	33892256
Lysylserine,3TMS,isomer #13	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CO)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2263.2	Semi standard non polar	33892256
Lysylserine,3TMS,isomer #13	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CO)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2364.1	Standard non polar	33892256
Lysylserine,3TMS,isomer #14	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CO)C(=O)O	2544.7	Semi standard non polar	33892256
Lysylserine,3TMS,isomer #14	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CO)C(=O)O	2424.5	Standard non polar	33892256
Lysylserine,3TMS,isomer #15	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CO)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2522.3	Semi standard non polar	33892256
Lysylserine,3TMS,isomer #15	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CO)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2444.2	Standard non polar	33892256
Lysylserine,3TMS,isomer #16	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CO)C(=O)O)[Si](C)(C)C	2329.8	Semi standard non polar	33892256
Lysylserine,3TMS,isomer #16	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CO)C(=O)O)[Si](C)(C)C	2423.6	Standard non polar	33892256
Lysylserine,3TMS,isomer #17	C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](CO)C(=O)O	2429.9	Semi standard non polar	33892256
Lysylserine,3TMS,isomer #17	C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](CO)C(=O)O	2420.3	Standard non polar	33892256
Lysylserine,3TMS,isomer #18	C[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CO)C(=O)O	2353.4	Semi standard non polar	33892256
Lysylserine,3TMS,isomer #18	C[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CO)C(=O)O	2381.5	Standard non polar	33892256
Lysylserine,3TMS,isomer #2	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CO[Si](C)(C)C)C(=O)O[Si](C)(C)C	2333.9	Semi standard non polar	33892256
Lysylserine,3TMS,isomer #2	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CO[Si](C)(C)C)C(=O)O[Si](C)(C)C	2303.8	Standard non polar	33892256
Lysylserine,3TMS,isomer #3	C[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C	2215.8	Semi standard non polar	33892256
Lysylserine,3TMS,isomer #3	C[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C	2243.1	Standard non polar	33892256
Lysylserine,3TMS,isomer #4	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CO[Si](C)(C)C)C(=O)O	2382.9	Semi standard non polar	33892256
Lysylserine,3TMS,isomer #4	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CO[Si](C)(C)C)C(=O)O	2429.8	Standard non polar	33892256
Lysylserine,3TMS,isomer #5	C[Si](C)(C)OC[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2404.0	Semi standard non polar	33892256
Lysylserine,3TMS,isomer #5	C[Si](C)(C)OC[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2398.5	Standard non polar	33892256
Lysylserine,3TMS,isomer #6	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CO[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2270.8	Semi standard non polar	33892256
Lysylserine,3TMS,isomer #6	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CO[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2316.6	Standard non polar	33892256
Lysylserine,3TMS,isomer #7	C[Si](C)(C)OC[C@H](NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2493.8	Semi standard non polar	33892256
Lysylserine,3TMS,isomer #7	C[Si](C)(C)OC[C@H](NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2422.2	Standard non polar	33892256
Lysylserine,3TMS,isomer #8	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CO[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2303.1	Semi standard non polar	33892256
Lysylserine,3TMS,isomer #8	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CO[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2359.3	Standard non polar	33892256
Lysylserine,3TMS,isomer #9	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CO)C(=O)O[Si](C)(C)C	2386.8	Semi standard non polar	33892256
Lysylserine,3TMS,isomer #9	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CO)C(=O)O[Si](C)(C)C	2392.0	Standard non polar	33892256
Lysylserine,4TMS,isomer #1	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CO[Si](C)(C)C)C(=O)O[Si](C)(C)C	2376.2	Semi standard non polar	33892256
Lysylserine,4TMS,isomer #1	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CO[Si](C)(C)C)C(=O)O[Si](C)(C)C	2440.6	Standard non polar	33892256
Lysylserine,4TMS,isomer #10	C[Si](C)(C)OC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2478.1	Semi standard non polar	33892256
Lysylserine,4TMS,isomer #10	C[Si](C)(C)OC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2461.2	Standard non polar	33892256
Lysylserine,4TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CO)C(=O)O[Si](C)(C)C	2534.5	Semi standard non polar	33892256
Lysylserine,4TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CO)C(=O)O[Si](C)(C)C	2470.6	Standard non polar	33892256
Lysylserine,4TMS,isomer #12	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CO)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2501.4	Semi standard non polar	33892256
Lysylserine,4TMS,isomer #12	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CO)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2507.3	Standard non polar	33892256
Lysylserine,4TMS,isomer #13	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CO)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2299.8	Semi standard non polar	33892256
Lysylserine,4TMS,isomer #13	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CO)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2468.1	Standard non polar	33892256
Lysylserine,4TMS,isomer #14	C[Si](C)(C)OC(=O)[C@H](CO)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2371.6	Semi standard non polar	33892256
Lysylserine,4TMS,isomer #14	C[Si](C)(C)OC(=O)[C@H](CO)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2467.3	Standard non polar	33892256
Lysylserine,4TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CO)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2443.8	Semi standard non polar	33892256
Lysylserine,4TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CO)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2473.4	Standard non polar	33892256
Lysylserine,4TMS,isomer #16	C[Si](C)(C)N(CCCC[C@@H](C(=O)N[C@@H](CO)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2685.8	Semi standard non polar	33892256
Lysylserine,4TMS,isomer #16	C[Si](C)(C)N(CCCC[C@@H](C(=O)N[C@@H](CO)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2538.1	Standard non polar	33892256
Lysylserine,4TMS,isomer #17	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CO)C(=O)O)[Si](C)(C)C	2483.5	Semi standard non polar	33892256
Lysylserine,4TMS,isomer #17	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CO)C(=O)O)[Si](C)(C)C	2510.6	Standard non polar	33892256
Lysylserine,4TMS,isomer #18	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CO)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2433.5	Semi standard non polar	33892256
Lysylserine,4TMS,isomer #18	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CO)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2540.1	Standard non polar	33892256
Lysylserine,4TMS,isomer #2	C[Si](C)(C)OC[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2385.9	Semi standard non polar	33892256
Lysylserine,4TMS,isomer #2	C[Si](C)(C)OC[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2433.5	Standard non polar	33892256
Lysylserine,4TMS,isomer #3	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2251.0	Semi standard non polar	33892256
Lysylserine,4TMS,isomer #3	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2366.2	Standard non polar	33892256
Lysylserine,4TMS,isomer #4	C[Si](C)(C)OC[C@H](NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2474.2	Semi standard non polar	33892256
Lysylserine,4TMS,isomer #4	C[Si](C)(C)OC[C@H](NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2422.9	Standard non polar	33892256
Lysylserine,4TMS,isomer #5	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2280.0	Semi standard non polar	33892256
Lysylserine,4TMS,isomer #5	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2390.4	Standard non polar	33892256
Lysylserine,4TMS,isomer #6	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CO[Si](C)(C)C)C(=O)O	2533.3	Semi standard non polar	33892256
Lysylserine,4TMS,isomer #6	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CO[Si](C)(C)C)C(=O)O	2502.1	Standard non polar	33892256
Lysylserine,4TMS,isomer #7	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CO[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2503.5	Semi standard non polar	33892256
Lysylserine,4TMS,isomer #7	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CO[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2525.9	Standard non polar	33892256
Lysylserine,4TMS,isomer #8	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CO[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2346.4	Semi standard non polar	33892256
Lysylserine,4TMS,isomer #8	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CO[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2467.6	Standard non polar	33892256
Lysylserine,4TMS,isomer #9	C[Si](C)(C)OC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2430.7	Semi standard non polar	33892256
Lysylserine,4TMS,isomer #9	C[Si](C)(C)OC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2444.5	Standard non polar	33892256
Lysylserine,5TMS,isomer #1	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CO[Si](C)(C)C)C(=O)O[Si](C)(C)C	2518.6	Semi standard non polar	33892256
Lysylserine,5TMS,isomer #1	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CO[Si](C)(C)C)C(=O)O[Si](C)(C)C	2508.0	Standard non polar	33892256
Lysylserine,5TMS,isomer #10	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CO)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2492.8	Semi standard non polar	33892256
Lysylserine,5TMS,isomer #10	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CO)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2543.9	Standard non polar	33892256
Lysylserine,5TMS,isomer #11	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CO)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2449.0	Semi standard non polar	33892256
Lysylserine,5TMS,isomer #11	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CO)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2576.2	Standard non polar	33892256
Lysylserine,5TMS,isomer #12	C[Si](C)(C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CO)C(=O)O	2657.3	Semi standard non polar	33892256
Lysylserine,5TMS,isomer #12	C[Si](C)(C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CO)C(=O)O	2629.6	Standard non polar	33892256
Lysylserine,5TMS,isomer #2	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2436.0	Semi standard non polar	33892256
Lysylserine,5TMS,isomer #2	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2542.7	Standard non polar	33892256
Lysylserine,5TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2298.0	Semi standard non polar	33892256
Lysylserine,5TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2494.8	Standard non polar	33892256
Lysylserine,5TMS,isomer #4	C[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2450.9	Semi standard non polar	33892256
Lysylserine,5TMS,isomer #4	C[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2491.7	Standard non polar	33892256
Lysylserine,5TMS,isomer #5	C[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2490.6	Semi standard non polar	33892256
Lysylserine,5TMS,isomer #5	C[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2494.1	Standard non polar	33892256
Lysylserine,5TMS,isomer #6	C[Si](C)(C)OC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2688.3	Semi standard non polar	33892256
Lysylserine,5TMS,isomer #6	C[Si](C)(C)OC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2598.0	Standard non polar	33892256
Lysylserine,5TMS,isomer #7	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CO[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2522.9	Semi standard non polar	33892256
Lysylserine,5TMS,isomer #7	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CO[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2540.5	Standard non polar	33892256
Lysylserine,5TMS,isomer #8	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CO[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2491.0	Semi standard non polar	33892256
Lysylserine,5TMS,isomer #8	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CO[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2568.7	Standard non polar	33892256
Lysylserine,5TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CO)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2701.1	Semi standard non polar	33892256
Lysylserine,5TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CO)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2584.0	Standard non polar	33892256
Lysylserine,6TMS,isomer #1	C[Si](C)(C)OC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2677.4	Semi standard non polar	33892256
Lysylserine,6TMS,isomer #1	C[Si](C)(C)OC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2614.0	Standard non polar	33892256
Lysylserine,6TMS,isomer #2	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2520.1	Semi standard non polar	33892256
Lysylserine,6TMS,isomer #2	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2570.2	Standard non polar	33892256
Lysylserine,6TMS,isomer #3	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2507.1	Semi standard non polar	33892256
Lysylserine,6TMS,isomer #3	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CO[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2593.2	Standard non polar	33892256
Lysylserine,6TMS,isomer #4	C[Si](C)(C)OC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2739.1	Semi standard non polar	33892256
Lysylserine,6TMS,isomer #4	C[Si](C)(C)OC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2649.8	Standard non polar	33892256
Lysylserine,6TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CO)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2707.2	Semi standard non polar	33892256
Lysylserine,6TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CO)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2656.4	Standard non polar	33892256
Lysylserine,7TMS,isomer #1	C[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2768.3	Semi standard non polar	33892256
Lysylserine,7TMS,isomer #1	C[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2676.7	Standard non polar	33892256
Lysylserine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O	2459.0	Semi standard non polar	33892256
Lysylserine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN	2470.0	Semi standard non polar	33892256
Lysylserine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CO)C(=O)O	2597.1	Semi standard non polar	33892256
Lysylserine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O	2532.4	Semi standard non polar	33892256
Lysylserine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCCCN)[C@@H](CO)C(=O)O	2432.6	Semi standard non polar	33892256
Lysylserine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	2708.5	Semi standard non polar	33892256
Lysylserine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CO)C(=O)O)[Si](C)(C)C(C)(C)C	2785.7	Semi standard non polar	33892256
Lysylserine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N([C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O)[Si](C)(C)C(C)(C)C	2849.6	Semi standard non polar	33892256
Lysylserine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CO)C(=O)O)[Si](C)(C)C(C)(C)C	2746.7	Semi standard non polar	33892256
Lysylserine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O	2726.5	Semi standard non polar	33892256
Lysylserine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O	2808.3	Semi standard non polar	33892256
Lysylserine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C(C)(C)C	2699.4	Semi standard non polar	33892256
Lysylserine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C	2757.0	Semi standard non polar	33892256
Lysylserine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C	2830.9	Semi standard non polar	33892256
Lysylserine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CO)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C(C)(C)C	2688.3	Semi standard non polar	33892256
Lysylserine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)O	2893.4	Semi standard non polar	33892256
Lysylserine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CO)C(=O)O)[Si](C)(C)C(C)(C)C	2967.4	Semi standard non polar	33892256
Lysylserine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2954.0	Semi standard non polar	33892256
Lysylserine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2855.1	Standard non polar	33892256
Lysylserine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3095.7	Semi standard non polar	33892256
Lysylserine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2899.8	Standard non polar	33892256
Lysylserine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2973.0	Semi standard non polar	33892256
Lysylserine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2864.1	Standard non polar	33892256
Lysylserine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3192.2	Semi standard non polar	33892256
Lysylserine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2922.4	Standard non polar	33892256
Lysylserine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3004.0	Semi standard non polar	33892256
Lysylserine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2904.0	Standard non polar	33892256
Lysylserine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)O	3235.7	Semi standard non polar	33892256
Lysylserine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)O	2945.7	Standard non polar	33892256
Lysylserine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CO)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3234.2	Semi standard non polar	33892256
Lysylserine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CO)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2943.4	Standard non polar	33892256
Lysylserine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CO)C(=O)O)[Si](C)(C)C(C)(C)C	3074.1	Semi standard non polar	33892256
Lysylserine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CO)C(=O)O)[Si](C)(C)C(C)(C)C	2901.1	Standard non polar	33892256
Lysylserine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CO)C(=O)O	3125.0	Semi standard non polar	33892256
Lysylserine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CO)C(=O)O	2932.7	Standard non polar	33892256
Lysylserine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CO)C(=O)O	3058.8	Semi standard non polar	33892256
Lysylserine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CO)C(=O)O	2900.0	Standard non polar	33892256
Lysylserine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3002.6	Semi standard non polar	33892256
Lysylserine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2878.8	Standard non polar	33892256
Lysylserine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C(C)(C)C	2943.3	Semi standard non polar	33892256
Lysylserine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C(C)(C)C	2826.2	Standard non polar	33892256
Lysylserine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O	3074.3	Semi standard non polar	33892256
Lysylserine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O	2936.8	Standard non polar	33892256
Lysylserine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3089.1	Semi standard non polar	33892256
Lysylserine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2909.5	Standard non polar	33892256
Lysylserine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2986.3	Semi standard non polar	33892256
Lysylserine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2852.7	Standard non polar	33892256
Lysylserine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H](NC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3183.6	Semi standard non polar	33892256
Lysylserine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H](NC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2942.7	Standard non polar	33892256
Lysylserine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3024.1	Semi standard non polar	33892256
Lysylserine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2893.6	Standard non polar	33892256
Lysylserine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C	3072.7	Semi standard non polar	33892256
Lysylserine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C	2908.3	Standard non polar	33892256
Lysylserine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3250.5	Semi standard non polar	33892256
Lysylserine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3086.6	Standard non polar	33892256
Lysylserine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3350.4	Semi standard non polar	33892256
Lysylserine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3119.8	Standard non polar	33892256
Lysylserine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C	3437.9	Semi standard non polar	33892256
Lysylserine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C	3142.2	Standard non polar	33892256
Lysylserine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CO)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	3443.6	Semi standard non polar	33892256
Lysylserine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CO)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	3142.9	Standard non polar	33892256
Lysylserine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3254.0	Semi standard non polar	33892256
Lysylserine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3099.4	Standard non polar	33892256
Lysylserine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CO)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3275.3	Semi standard non polar	33892256
Lysylserine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CO)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3123.1	Standard non polar	33892256
Lysylserine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CO)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3337.2	Semi standard non polar	33892256
Lysylserine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CO)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3141.7	Standard non polar	33892256
Lysylserine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(CCCC[C@@H](C(=O)N[C@@H](CO)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3548.9	Semi standard non polar	33892256
Lysylserine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(CCCC[C@@H](C(=O)N[C@@H](CO)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3194.0	Standard non polar	33892256
Lysylserine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CO)C(=O)O)[Si](C)(C)C(C)(C)C	3397.0	Semi standard non polar	33892256
Lysylserine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CO)C(=O)O)[Si](C)(C)C(C)(C)C	3149.1	Standard non polar	33892256
Lysylserine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CO)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	3389.1	Semi standard non polar	33892256
Lysylserine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CO)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	3160.1	Standard non polar	33892256
Lysylserine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H](NC(=O)[C@H](CCCCN)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	3320.3	Semi standard non polar	33892256
Lysylserine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H](NC(=O)[C@H](CCCCN)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	3081.8	Standard non polar	33892256
Lysylserine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3184.6	Semi standard non polar	33892256
Lysylserine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3049.2	Standard non polar	33892256
Lysylserine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H](NC(=O)[C@@H](N)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	3376.9	Semi standard non polar	33892256
Lysylserine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H](NC(=O)[C@@H](N)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	3107.6	Standard non polar	33892256
Lysylserine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3204.4	Semi standard non polar	33892256
Lysylserine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3075.3	Standard non polar	33892256
Lysylserine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O	3432.1	Semi standard non polar	33892256
Lysylserine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O	3152.9	Standard non polar	33892256
Lysylserine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CO[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	3443.0	Semi standard non polar	33892256
Lysylserine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CO[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	3150.4	Standard non polar	33892256
Lysylserine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3281.3	Semi standard non polar	33892256
Lysylserine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3084.0	Standard non polar	33892256
Lysylserine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3306.3	Semi standard non polar	33892256
Lysylserine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3100.6	Standard non polar	33892256
Lysylserine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3633.9	Semi standard non polar	33892256
Lysylserine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3288.7	Standard non polar	33892256
Lysylserine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3603.2	Semi standard non polar	33892256
Lysylserine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3316.0	Standard non polar	33892256
Lysylserine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CO)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	3595.8	Semi standard non polar	33892256
Lysylserine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CO)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	3332.2	Standard non polar	33892256
Lysylserine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CO)C(=O)O	3701.0	Semi standard non polar	33892256
Lysylserine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CO)C(=O)O	3378.8	Standard non polar	33892256
Lysylserine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3629.7	Semi standard non polar	33892256
Lysylserine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3291.1	Standard non polar	33892256
Lysylserine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3428.6	Semi standard non polar	33892256
Lysylserine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3239.0	Standard non polar	33892256
Lysylserine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3543.4	Semi standard non polar	33892256
Lysylserine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3278.7	Standard non polar	33892256
Lysylserine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3569.4	Semi standard non polar	33892256
Lysylserine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3292.0	Standard non polar	33892256
Lysylserine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3759.8	Semi standard non polar	33892256
Lysylserine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3346.2	Standard non polar	33892256
Lysylserine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3622.5	Semi standard non polar	33892256
Lysylserine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3296.5	Standard non polar	33892256
Lysylserine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3627.7	Semi standard non polar	33892256
Lysylserine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3311.6	Standard non polar	33892256
Lysylserine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CO)NC(=O)[C@H](CCCCN([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	3751.5	Semi standard non polar	33892256
Lysylserine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CO)NC(=O)[C@H](CCCCN([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	3351.8	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Lysylserine 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 - Lysylserine 10V, Positive-QTOF	splash10-001i-1790000000-e81d4477ea48be153c03	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lysylserine 20V, Positive-QTOF	splash10-001r-9200000000-5bc4188be8dc15f404f5	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lysylserine 40V, Positive-QTOF	splash10-0a4i-9100000000-9e9f51c772ae89a40980	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lysylserine 10V, Negative-QTOF	splash10-01q9-0090000000-c2b0dba6fd01bedd044f	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lysylserine 20V, Negative-QTOF	splash10-0fk9-9840000000-88974214eb9d812427bd	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lysylserine 40V, Negative-QTOF	splash10-00di-9000000000-0fb28ac92027f8691f17	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB111983

KNApSAcK ID

Not Available

Chemspider ID

133460

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

151428

PDB ID

Not Available

ChEBI ID

74568

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Lysser M: [Martin Lysser. "Extreme situations fascinate me"]. Krankenpfl Soins Infirm. 2004;97(4):28-9. [PubMed:15141557 ]

Showing metabocard for Lysylserine (HMDB0028960)

MOL for HMDB0028960 (Lysylserine)

3D MOL for HMDB0028960 (Lysylserine)

3D SDF for HMDB0028960 (Lysylserine)

3D-SDF for HMDB0028960 (Lysylserine)

PDB for HMDB0028960 (Lysylserine)

3D PDB for HMDB0028960 (Lysylserine)

SMILES for HMDB0028960 (Lysylserine)

INCHI for HMDB0028960 (Lysylserine)

Structure for HMDB0028960 (Lysylserine)

3D Structure for HMDB0028960 (Lysylserine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra