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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-06 21:03:28 UTC

Update Date

2021-09-14 15:47:04 UTC

HMDB ID

HMDB0029044

Secondary Accession Numbers

HMDB29044

Metabolite Identification

Common Name

Seryllysine

Description

Seryllysine, also known as S-K or L-ser-L-lys, 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. Seryllysine has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make seryllysine a potential biomarker for the consumption of these foods. Seryllysine is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review very few articles have been published on Seryllysine.

Structure

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

HMDB0029044
     RDKit          3D
Seryllysine
 35 34  0  0  0  0  0  0  0  0999 V2000
    5.5434    0.8322   -0.1680 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2811    0.0988   -0.3511 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2955    0.7214    0.6093 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9478    0.0472    0.5431 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3141    0.1008   -0.8293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0431   -0.4930   -0.8486 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0955    0.1385   -0.0695 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4079   -0.3511   -0.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6055   -1.3339   -0.9886 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5416    0.2002    0.5311 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3107    1.4009    1.2496 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8558    0.1935   -0.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8400    0.2765    0.8614 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0139   -1.8567   -0.1181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429   -2.8956   -0.6930 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3883   -1.8262    1.1938 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3507    0.3537   -0.6097 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4783    1.7731   -0.5666 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0003    0.2150   -1.4169 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4795   -0.9709   -0.1190 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6818    0.4167    1.6375 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3103    1.7867    0.5614 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2828    0.4952    1.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1788   -1.0335    0.7028 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9555   -0.5201   -1.5430 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3539    1.1341   -1.2974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4253   -0.7646   -1.8722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9171    0.9456    0.5861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7398   -0.6049    1.4079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6381    1.1746    2.0372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9001    2.1659    0.6477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0909   -0.7372   -0.6992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0355    1.0523   -0.8145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7163   -0.5454    1.4250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3220   -1.5899    1.9184 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
  6 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
 10 29  1  1
 11 30  1  0
 11 31  1  0
 12 32  1  0
 12 33  1  0
 13 34  1  0
 16 35  1  0
M  END

  Mrv1652304062014122D          

 16 15  0  0  0  0            999 V2000
 2501.4202 2499.7279    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 2501.4202 2500.5530    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2502.1330 2500.9666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2502.8476 2500.5530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2502.1330 2501.7919    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 2501.4202 2502.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2500.7056 2501.7919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2502.8476 2502.2035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2500.7056 2499.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2499.9890 2499.7279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2499.2744 2499.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2498.5595 2499.7279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2497.8449 2499.3162    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2502.1351 2499.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2502.8497 2499.7279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2502.1351 2498.4911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  6  0  0  0
  1  9  1  0  0  0  0
  1 14  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  8  1  0  0  0  0
  6  7  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0029044

> <DATABASE_NAME>
hmdb

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

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

> <INCHI_KEY>
SBMNPABNWKXNBJ-BQBZGAKWSA-N

> <FORMULA>
C9H19N3O4

> <MOLECULAR_WEIGHT>
233.268

> <EXACT_MASS>
233.137556104

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
35

> <JCHEM_AVERAGE_POLARIZABILITY>
24.034295710242993

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-6-amino-2-[(2S)-2-amino-3-hydroxypropanamido]hexanoic acid

> <ALOGPS_LOGP>
-3.50

> <JCHEM_LOGP>
-4.609169603287168

> <ALOGPS_LOGS>
-0.96

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
13.632322000352918

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.6839116215847656

> <JCHEM_PKA_STRONGEST_BASIC>
10.20703887133154

> <JCHEM_POLAR_SURFACE_AREA>
138.67

> <JCHEM_REFRACTIVITY>
56.650600000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.58e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-6-amino-2-[(2S)-2-amino-3-hydroxypropanamido]hexanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0029044
     RDKit          3D
Seryllysine
 35 34  0  0  0  0  0  0  0  0999 V2000
    5.5434    0.8322   -0.1680 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2811    0.0988   -0.3511 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2955    0.7214    0.6093 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9478    0.0472    0.5431 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3141    0.1008   -0.8293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0431   -0.4930   -0.8486 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0955    0.1385   -0.0695 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4079   -0.3511   -0.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6055   -1.3339   -0.9886 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5416    0.2002    0.5311 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3107    1.4009    1.2496 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8558    0.1935   -0.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8400    0.2765    0.8614 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0139   -1.8567   -0.1181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429   -2.8956   -0.6930 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3883   -1.8262    1.1938 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3507    0.3537   -0.6097 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4783    1.7731   -0.5666 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0003    0.2150   -1.4169 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4795   -0.9709   -0.1190 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6818    0.4167    1.6375 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3103    1.7867    0.5614 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2828    0.4952    1.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1788   -1.0335    0.7028 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9555   -0.5201   -1.5430 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3539    1.1341   -1.2974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4253   -0.7646   -1.8722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9171    0.9456    0.5861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7398   -0.6049    1.4079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6381    1.1746    2.0372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9001    2.1659    0.6477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0909   -0.7372   -0.6992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0355    1.0523   -0.8145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7163   -0.5454    1.4250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3220   -1.5899    1.9184 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
  6 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
 10 29  1  1
 11 30  1  0
 11 31  1  0
 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    4669.3184666.159   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0    4669.3184667.699   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0    4670.6484668.471   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0    4671.9824667.699   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0    4670.6484670.012   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    4669.3184670.780   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0    4667.9844670.012   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0    4671.9824670.780   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0    4667.9844665.390   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    4666.6464666.159   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    4665.3124665.390   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    4663.9784666.159   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0    4662.6444665.390   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0    4670.6524665.390   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0    4671.9864666.159   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0    4670.6524663.850   0.000  0.00  0.00           O+0
CONECT    1    2    9   14                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6    8                                                  
CONECT    6    5    7                                                       
CONECT    7    6                                                            
CONECT    8    5                                                            
CONECT    9    1   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   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    HMDB0029044
HETATM    1  N1  UNL     1       5.543   0.832  -0.168  1.00  0.00           N  
HETATM    2  C1  UNL     1       4.281   0.099  -0.351  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.295   0.721   0.609  1.00  0.00           C  
HETATM    4  C3  UNL     1       1.948   0.047   0.543  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.314   0.101  -0.829  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.043  -0.493  -0.849  1.00  0.00           C  
HETATM    7  N2  UNL     1      -1.095   0.139  -0.069  1.00  0.00           N  
HETATM    8  C6  UNL     1      -2.408  -0.351  -0.191  1.00  0.00           C  
HETATM    9  O1  UNL     1      -2.605  -1.334  -0.989  1.00  0.00           O  
HETATM   10  C7  UNL     1      -3.542   0.200   0.531  1.00  0.00           C  
HETATM   11  N3  UNL     1      -3.311   1.401   1.250  1.00  0.00           N  
HETATM   12  C8  UNL     1      -4.856   0.194  -0.167  1.00  0.00           C  
HETATM   13  O2  UNL     1      -5.840   0.276   0.861  1.00  0.00           O  
HETATM   14  C9  UNL     1      -0.014  -1.857  -0.118  1.00  0.00           C  
HETATM   15  O3  UNL     1      -0.343  -2.896  -0.693  1.00  0.00           O  
HETATM   16  O4  UNL     1       0.388  -1.826   1.194  1.00  0.00           O  
HETATM   17  H1  UNL     1       6.351   0.354  -0.610  1.00  0.00           H  
HETATM   18  H2  UNL     1       5.478   1.773  -0.567  1.00  0.00           H  
HETATM   19  H3  UNL     1       4.000   0.215  -1.417  1.00  0.00           H  
HETATM   20  H4  UNL     1       4.479  -0.971  -0.119  1.00  0.00           H  
HETATM   21  H5  UNL     1       3.682   0.417   1.638  1.00  0.00           H  
HETATM   22  H6  UNL     1       3.310   1.787   0.561  1.00  0.00           H  
HETATM   23  H7  UNL     1       1.283   0.495   1.270  1.00  0.00           H  
HETATM   24  H8  UNL     1       2.179  -1.033   0.703  1.00  0.00           H  
HETATM   25  H9  UNL     1       1.955  -0.520  -1.543  1.00  0.00           H  
HETATM   26  H10 UNL     1       1.354   1.134  -1.297  1.00  0.00           H  
HETATM   27  H11 UNL     1      -0.425  -0.765  -1.872  1.00  0.00           H  
HETATM   28  H12 UNL     1      -0.917   0.946   0.586  1.00  0.00           H  
HETATM   29  H13 UNL     1      -3.740  -0.605   1.408  1.00  0.00           H  
HETATM   30  H14 UNL     1      -2.638   1.175   2.037  1.00  0.00           H  
HETATM   31  H15 UNL     1      -2.900   2.166   0.648  1.00  0.00           H  
HETATM   32  H16 UNL     1      -5.091  -0.737  -0.699  1.00  0.00           H  
HETATM   33  H17 UNL     1      -5.035   1.052  -0.814  1.00  0.00           H  
HETATM   34  H18 UNL     1      -5.716  -0.545   1.425  1.00  0.00           H  
HETATM   35  H19 UNL     1      -0.322  -1.590   1.918  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   14   27
CONECT    7    8   28
CONECT    8    9    9   10
CONECT   10   11   12   29
CONECT   11   30   31
CONECT   12   13   32   33
CONECT   13   34
CONECT   14   15   15   16
CONECT   16   35
END

HMDB0029044
     RDKit          3D
Seryllysine
 35 34  0  0  0  0  0  0  0  0999 V2000
    5.5434    0.8322   -0.1680 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2811    0.0988   -0.3511 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2955    0.7214    0.6093 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9478    0.0472    0.5431 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3141    0.1008   -0.8293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0431   -0.4930   -0.8486 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0955    0.1385   -0.0695 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4079   -0.3511   -0.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6055   -1.3339   -0.9886 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5416    0.2002    0.5311 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3107    1.4009    1.2496 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8558    0.1935   -0.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8400    0.2765    0.8614 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0139   -1.8567   -0.1181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429   -2.8956   -0.6930 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3883   -1.8262    1.1938 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3507    0.3537   -0.6097 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4783    1.7731   -0.5666 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0003    0.2150   -1.4169 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4795   -0.9709   -0.1190 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6818    0.4167    1.6375 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3103    1.7867    0.5614 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2828    0.4952    1.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1788   -1.0335    0.7028 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9555   -0.5201   -1.5430 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3539    1.1341   -1.2974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4253   -0.7646   -1.8722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9171    0.9456    0.5861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7398   -0.6049    1.4079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6381    1.1746    2.0372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9001    2.1659    0.6477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0909   -0.7372   -0.6992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0355    1.0523   -0.8145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7163   -0.5454    1.4250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3220   -1.5899    1.9184 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
  6 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
 10 29  1  1
 11 30  1  0
 11 31  1  0
 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
(2S)-6-Amino-2-{[(2S)-2-amino-3-hydroxypropanoyl]amino}hexanoic acid	ChEBI
L-Ser-L-lys	ChEBI
S-K	ChEBI
SK	ChEBI
(2S)-6-Amino-2-{[(2S)-2-amino-3-hydroxypropanoyl]amino}hexanoate	Generator
(2S)-6-Amino-2-{[(2S)-2-amino-1,3-dihydroxypropylidene]amino}hexanoate	HMDB
L-Seryl-L-lysine	HMDB
N2-L-Seryl-L-lysine	HMDB
N2-Seryllysine	HMDB
S-K Dipeptide	HMDB
SK Dipeptide	HMDB
Ser-lys	HMDB
Serine lysine dipeptide	HMDB
Serine-lysine dipeptide	HMDB
Serinyl-lysine	HMDB
Serinyllysine	HMDB
Seryl-lysine	HMDB

Chemical Formula

C₉H₁₉N₃O₄

Average Molecular Weight

233.268

Monoisotopic Molecular Weight

233.137556104

IUPAC Name

(2S)-6-amino-2-[(2S)-2-amino-3-hydroxypropanamido]hexanoic acid

Traditional Name

(2S)-6-amino-2-[(2S)-2-amino-3-hydroxypropanamido]hexanoic acid

CAS Registry Number

22677-61-8

SMILES

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

InChI Identifier

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

InChI Key

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

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Endogenous (HMDB: HMDB0029044)

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

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

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

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

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

Equine

Horse (FooDB: FOOD00378)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	-4.68	Extrapolated

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	25.8 g/L	ALOGPS
logP	-3.5	ALOGPS
logP	-4.6	ChemAxon
logS	-0.96	ALOGPS
pKa (Strongest Acidic)	3.68	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	24.03 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]+	156.007	30932474
DeepCCS	[M-H]-	153.649	30932474
DeepCCS	[M-2H]-	186.534	30932474
DeepCCS	[M+Na]+	162.1	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Seryllysine	NCCCC[C@H](NC(=O)[C@@H](N)CO)C(O)=O	3192.1	Standard polar	33892256
Seryllysine	NCCCC[C@H](NC(=O)[C@@H](N)CO)C(O)=O	2268.8	Standard non polar	33892256
Seryllysine	NCCCC[C@H](NC(=O)[C@@H](N)CO)C(O)=O	2286.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Seryllysine,1TMS,isomer #1	C[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)O	2214.9	Semi standard non polar	33892256
Seryllysine,1TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CO	2198.4	Semi standard non polar	33892256
Seryllysine,1TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H](N)CO)C(=O)O	2364.4	Semi standard non polar	33892256
Seryllysine,1TMS,isomer #4	C[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)O	2262.6	Semi standard non polar	33892256
Seryllysine,1TMS,isomer #5	C[Si](C)(C)N(C(=O)[C@@H](N)CO)[C@@H](CCCCN)C(=O)O	2161.5	Semi standard non polar	33892256
Seryllysine,2TMS,isomer #1	C[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C	2225.4	Semi standard non polar	33892256
Seryllysine,2TMS,isomer #10	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CO)[Si](C)(C)C	2266.4	Semi standard non polar	33892256
Seryllysine,2TMS,isomer #11	C[Si](C)(C)N([C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)O)[Si](C)(C)C	2378.0	Semi standard non polar	33892256
Seryllysine,2TMS,isomer #12	C[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C	2228.5	Semi standard non polar	33892256
Seryllysine,2TMS,isomer #2	C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N[C@@H](CCCCN)C(=O)O	2258.9	Semi standard non polar	33892256
Seryllysine,2TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H](N)CO[Si](C)(C)C)C(=O)O	2314.4	Semi standard non polar	33892256
Seryllysine,2TMS,isomer #4	C[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C	2175.0	Semi standard non polar	33892256
Seryllysine,2TMS,isomer #5	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H](N)CO)C(=O)O[Si](C)(C)C	2329.7	Semi standard non polar	33892256
Seryllysine,2TMS,isomer #6	C[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C	2261.0	Semi standard non polar	33892256
Seryllysine,2TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CCCCN)N(C(=O)[C@@H](N)CO)[Si](C)(C)C	2141.3	Semi standard non polar	33892256
Seryllysine,2TMS,isomer #8	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CO)N[Si](C)(C)C)C(=O)O	2387.7	Semi standard non polar	33892256
Seryllysine,2TMS,isomer #9	C[Si](C)(C)N(CCCC[C@H](NC(=O)[C@@H](N)CO)C(=O)O)[Si](C)(C)C	2510.2	Semi standard non polar	33892256
Seryllysine,3TMS,isomer #1	C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C	2277.2	Semi standard non polar	33892256
Seryllysine,3TMS,isomer #1	C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C	2303.3	Standard non polar	33892256
Seryllysine,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)CO	2498.4	Semi standard non polar	33892256
Seryllysine,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)CO	2351.0	Standard non polar	33892256
Seryllysine,3TMS,isomer #11	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CO)[Si](C)(C)C	2250.9	Semi standard non polar	33892256
Seryllysine,3TMS,isomer #11	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CO)[Si](C)(C)C	2357.5	Standard non polar	33892256
Seryllysine,3TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C	2396.5	Semi standard non polar	33892256
Seryllysine,3TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C	2389.7	Standard non polar	33892256
Seryllysine,3TMS,isomer #13	C[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2232.5	Semi standard non polar	33892256
Seryllysine,3TMS,isomer #13	C[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2315.4	Standard non polar	33892256
Seryllysine,3TMS,isomer #14	C[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2543.2	Semi standard non polar	33892256
Seryllysine,3TMS,isomer #14	C[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2428.9	Standard non polar	33892256
Seryllysine,3TMS,isomer #15	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CO)N[Si](C)(C)C)[Si](C)(C)C	2334.4	Semi standard non polar	33892256
Seryllysine,3TMS,isomer #15	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CO)N[Si](C)(C)C)[Si](C)(C)C	2406.6	Standard non polar	33892256
Seryllysine,3TMS,isomer #16	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2513.6	Semi standard non polar	33892256
Seryllysine,3TMS,isomer #16	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2464.3	Standard non polar	33892256
Seryllysine,3TMS,isomer #17	C[Si](C)(C)N(C(=O)[C@@H](N)CO)[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2417.8	Semi standard non polar	33892256
Seryllysine,3TMS,isomer #17	C[Si](C)(C)N(C(=O)[C@@H](N)CO)[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2417.1	Standard non polar	33892256
Seryllysine,3TMS,isomer #18	C[Si](C)(C)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCCCN)C(=O)O	2346.1	Semi standard non polar	33892256
Seryllysine,3TMS,isomer #18	C[Si](C)(C)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCCCN)C(=O)O	2387.0	Standard non polar	33892256
Seryllysine,3TMS,isomer #2	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H](N)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C	2339.1	Semi standard non polar	33892256
Seryllysine,3TMS,isomer #2	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H](N)CO[Si](C)(C)C)C(=O)O[Si](C)(C)C	2303.7	Standard non polar	33892256
Seryllysine,3TMS,isomer #3	C[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2195.2	Semi standard non polar	33892256
Seryllysine,3TMS,isomer #3	C[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2235.7	Standard non polar	33892256
Seryllysine,3TMS,isomer #4	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CO[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2363.1	Semi standard non polar	33892256
Seryllysine,3TMS,isomer #4	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CO[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2426.1	Standard non polar	33892256
Seryllysine,3TMS,isomer #5	C[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2414.1	Semi standard non polar	33892256
Seryllysine,3TMS,isomer #5	C[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2395.2	Standard non polar	33892256
Seryllysine,3TMS,isomer #6	C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C	2237.8	Semi standard non polar	33892256
Seryllysine,3TMS,isomer #6	C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C	2322.6	Standard non polar	33892256
Seryllysine,3TMS,isomer #7	C[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2479.6	Semi standard non polar	33892256
Seryllysine,3TMS,isomer #7	C[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2420.7	Standard non polar	33892256
Seryllysine,3TMS,isomer #8	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CO[Si](C)(C)C)[Si](C)(C)C	2277.2	Semi standard non polar	33892256
Seryllysine,3TMS,isomer #8	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CO[Si](C)(C)C)[Si](C)(C)C	2351.0	Standard non polar	33892256
Seryllysine,3TMS,isomer #9	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CO)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2382.2	Semi standard non polar	33892256
Seryllysine,3TMS,isomer #9	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CO)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2378.7	Standard non polar	33892256
Seryllysine,4TMS,isomer #1	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CO[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2369.3	Semi standard non polar	33892256
Seryllysine,4TMS,isomer #1	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CO[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2437.9	Standard non polar	33892256
Seryllysine,4TMS,isomer #10	C[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2434.4	Semi standard non polar	33892256
Seryllysine,4TMS,isomer #10	C[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2450.1	Standard non polar	33892256
Seryllysine,4TMS,isomer #11	C[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2531.2	Semi standard non polar	33892256
Seryllysine,4TMS,isomer #11	C[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2458.5	Standard non polar	33892256
Seryllysine,4TMS,isomer #12	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CO)N[Si](C)(C)C)[Si](C)(C)C	2302.8	Semi standard non polar	33892256
Seryllysine,4TMS,isomer #12	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CO)N[Si](C)(C)C)[Si](C)(C)C	2443.7	Standard non polar	33892256
Seryllysine,4TMS,isomer #13	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2482.0	Semi standard non polar	33892256
Seryllysine,4TMS,isomer #13	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2512.9	Standard non polar	33892256
Seryllysine,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)CO)[Si](C)(C)C	2416.4	Semi standard non polar	33892256
Seryllysine,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)CO)[Si](C)(C)C	2462.3	Standard non polar	33892256
Seryllysine,4TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CCCCN)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2372.6	Semi standard non polar	33892256
Seryllysine,4TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CCCCN)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2463.2	Standard non polar	33892256
Seryllysine,4TMS,isomer #16	C[Si](C)(C)N(CCCC[C@H](NC(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2670.1	Semi standard non polar	33892256
Seryllysine,4TMS,isomer #16	C[Si](C)(C)N(CCCC[C@H](NC(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2560.4	Standard non polar	33892256
Seryllysine,4TMS,isomer #17	C[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2486.3	Semi standard non polar	33892256
Seryllysine,4TMS,isomer #17	C[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2489.6	Standard non polar	33892256
Seryllysine,4TMS,isomer #18	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2417.1	Semi standard non polar	33892256
Seryllysine,4TMS,isomer #18	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2544.1	Standard non polar	33892256
Seryllysine,4TMS,isomer #2	C[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2390.0	Semi standard non polar	33892256
Seryllysine,4TMS,isomer #2	C[Si](C)(C)OC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2428.7	Standard non polar	33892256
Seryllysine,4TMS,isomer #3	C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2226.0	Semi standard non polar	33892256
Seryllysine,4TMS,isomer #3	C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2363.8	Standard non polar	33892256
Seryllysine,4TMS,isomer #4	C[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2486.4	Semi standard non polar	33892256
Seryllysine,4TMS,isomer #4	C[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2418.4	Standard non polar	33892256
Seryllysine,4TMS,isomer #5	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CO[Si](C)(C)C)[Si](C)(C)C	2271.2	Semi standard non polar	33892256
Seryllysine,4TMS,isomer #5	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CO[Si](C)(C)C)[Si](C)(C)C	2378.7	Standard non polar	33892256
Seryllysine,4TMS,isomer #6	C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2502.9	Semi standard non polar	33892256
Seryllysine,4TMS,isomer #6	C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2499.6	Standard non polar	33892256
Seryllysine,4TMS,isomer #7	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2317.4	Semi standard non polar	33892256
Seryllysine,4TMS,isomer #7	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2468.1	Standard non polar	33892256
Seryllysine,4TMS,isomer #8	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2508.9	Semi standard non polar	33892256
Seryllysine,4TMS,isomer #8	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2525.7	Standard non polar	33892256
Seryllysine,4TMS,isomer #9	C[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2405.1	Semi standard non polar	33892256
Seryllysine,4TMS,isomer #9	C[Si](C)(C)OC[C@@H](C(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2448.8	Standard non polar	33892256
Seryllysine,5TMS,isomer #1	C[Si](C)(C)N[C@@H](CO[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	2509.6	Semi standard non polar	33892256
Seryllysine,5TMS,isomer #1	C[Si](C)(C)N[C@@H](CO[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	2503.0	Standard non polar	33892256
Seryllysine,5TMS,isomer #10	C[Si](C)(C)N[C@@H](CO)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	2490.8	Semi standard non polar	33892256
Seryllysine,5TMS,isomer #10	C[Si](C)(C)N[C@@H](CO)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	2516.7	Standard non polar	33892256
Seryllysine,5TMS,isomer #11	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2436.5	Semi standard non polar	33892256
Seryllysine,5TMS,isomer #11	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2572.5	Standard non polar	33892256
Seryllysine,5TMS,isomer #12	C[Si](C)(C)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2648.3	Semi standard non polar	33892256
Seryllysine,5TMS,isomer #12	C[Si](C)(C)N(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2632.8	Standard non polar	33892256
Seryllysine,5TMS,isomer #2	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2277.2	Semi standard non polar	33892256
Seryllysine,5TMS,isomer #2	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2490.9	Standard non polar	33892256
Seryllysine,5TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2443.9	Semi standard non polar	33892256
Seryllysine,5TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2543.8	Standard non polar	33892256
Seryllysine,5TMS,isomer #4	C[Si](C)(C)OC[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	2434.3	Semi standard non polar	33892256
Seryllysine,5TMS,isomer #4	C[Si](C)(C)OC[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	2491.3	Standard non polar	33892256
Seryllysine,5TMS,isomer #5	C[Si](C)(C)OC[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	2466.8	Semi standard non polar	33892256
Seryllysine,5TMS,isomer #5	C[Si](C)(C)OC[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	2480.0	Standard non polar	33892256
Seryllysine,5TMS,isomer #6	C[Si](C)(C)OC[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	2705.3	Semi standard non polar	33892256
Seryllysine,5TMS,isomer #6	C[Si](C)(C)OC[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	2601.5	Standard non polar	33892256
Seryllysine,5TMS,isomer #7	C[Si](C)(C)N[C@@H](CO[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	2492.3	Semi standard non polar	33892256
Seryllysine,5TMS,isomer #7	C[Si](C)(C)N[C@@H](CO[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	2540.1	Standard non polar	33892256
Seryllysine,5TMS,isomer #8	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2470.8	Semi standard non polar	33892256
Seryllysine,5TMS,isomer #8	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2572.8	Standard non polar	33892256
Seryllysine,5TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C	2688.4	Semi standard non polar	33892256
Seryllysine,5TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C	2596.1	Standard non polar	33892256
Seryllysine,6TMS,isomer #1	C[Si](C)(C)OC[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	2680.8	Semi standard non polar	33892256
Seryllysine,6TMS,isomer #1	C[Si](C)(C)OC[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	2617.0	Standard non polar	33892256
Seryllysine,6TMS,isomer #2	C[Si](C)(C)N[C@@H](CO[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	2504.4	Semi standard non polar	33892256
Seryllysine,6TMS,isomer #2	C[Si](C)(C)N[C@@H](CO[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	2564.6	Standard non polar	33892256
Seryllysine,6TMS,isomer #3	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2497.4	Semi standard non polar	33892256
Seryllysine,6TMS,isomer #3	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2594.5	Standard non polar	33892256
Seryllysine,6TMS,isomer #4	C[Si](C)(C)OC[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	2713.0	Semi standard non polar	33892256
Seryllysine,6TMS,isomer #4	C[Si](C)(C)OC[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	2653.3	Standard non polar	33892256
Seryllysine,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](CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2700.7	Semi standard non polar	33892256
Seryllysine,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](CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2652.2	Standard non polar	33892256
Seryllysine,7TMS,isomer #1	C[Si](C)(C)OC[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	2754.7	Semi standard non polar	33892256
Seryllysine,7TMS,isomer #1	C[Si](C)(C)OC[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	2677.1	Standard non polar	33892256
Seryllysine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)O	2446.5	Semi standard non polar	33892256
Seryllysine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CO	2470.0	Semi standard non polar	33892256
Seryllysine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H](N)CO)C(=O)O	2609.0	Semi standard non polar	33892256
Seryllysine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)O	2515.7	Semi standard non polar	33892256
Seryllysine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CO)[C@@H](CCCCN)C(=O)O	2439.6	Semi standard non polar	33892256
Seryllysine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	2703.3	Semi standard non polar	33892256
Seryllysine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CO)[Si](C)(C)C(C)(C)C	2767.9	Semi standard non polar	33892256
Seryllysine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N([C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	2857.9	Semi standard non polar	33892256
Seryllysine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	2722.1	Semi standard non polar	33892256
Seryllysine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCCN)C(=O)O	2708.4	Semi standard non polar	33892256
Seryllysine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H](N)CO[Si](C)(C)C(C)(C)C)C(=O)O	2809.0	Semi standard non polar	33892256
Seryllysine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	2669.6	Semi standard non polar	33892256
Seryllysine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H](N)CO)C(=O)O[Si](C)(C)C(C)(C)C	2807.6	Semi standard non polar	33892256
Seryllysine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	2752.5	Semi standard non polar	33892256
Seryllysine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)N(C(=O)[C@@H](N)CO)[Si](C)(C)C(C)(C)C	2671.2	Semi standard non polar	33892256
Seryllysine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CO)N[Si](C)(C)C(C)(C)C)C(=O)O	2885.9	Semi standard non polar	33892256
Seryllysine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(CCCC[C@H](NC(=O)[C@@H](N)CO)C(=O)O)[Si](C)(C)C(C)(C)C	2969.6	Semi standard non polar	33892256
Seryllysine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	2939.0	Semi standard non polar	33892256
Seryllysine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	2851.5	Standard non polar	33892256
Seryllysine,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)CO	3177.0	Semi standard non polar	33892256
Seryllysine,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)CO	2897.4	Standard non polar	33892256
Seryllysine,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)CO)[Si](C)(C)C(C)(C)C	2982.9	Semi standard non polar	33892256
Seryllysine,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)CO)[Si](C)(C)C(C)(C)C	2896.6	Standard non polar	33892256
Seryllysine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3100.7	Semi standard non polar	33892256
Seryllysine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2898.9	Standard non polar	33892256
Seryllysine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2950.1	Semi standard non polar	33892256
Seryllysine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2851.2	Standard non polar	33892256
Seryllysine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3231.0	Semi standard non polar	33892256
Seryllysine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2947.9	Standard non polar	33892256
Seryllysine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CO)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3051.4	Semi standard non polar	33892256
Seryllysine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CO)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2891.9	Standard non polar	33892256
Seryllysine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3244.1	Semi standard non polar	33892256
Seryllysine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2960.9	Standard non polar	33892256
Seryllysine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CO)[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3099.7	Semi standard non polar	33892256
Seryllysine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CO)[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2928.1	Standard non polar	33892256
Seryllysine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCCCN)C(=O)O	3053.8	Semi standard non polar	33892256
Seryllysine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCCCN)C(=O)O	2902.8	Standard non polar	33892256
Seryllysine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H](N)CO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2988.5	Semi standard non polar	33892256
Seryllysine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H](N)CO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2871.6	Standard non polar	33892256
Seryllysine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[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	2910.4	Semi standard non polar	33892256
Seryllysine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[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	2813.9	Standard non polar	33892256
Seryllysine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3055.2	Semi standard non polar	33892256
Seryllysine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	2938.2	Standard non polar	33892256
Seryllysine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[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	3098.1	Semi standard non polar	33892256
Seryllysine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[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	2911.3	Standard non polar	33892256
Seryllysine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	2939.5	Semi standard non polar	33892256
Seryllysine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	2852.8	Standard non polar	33892256
Seryllysine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[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	3174.1	Semi standard non polar	33892256
Seryllysine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[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	2938.6	Standard non polar	33892256
Seryllysine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2983.8	Semi standard non polar	33892256
Seryllysine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2881.3	Standard non polar	33892256
Seryllysine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CO)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3059.9	Semi standard non polar	33892256
Seryllysine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CO)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2898.0	Standard non polar	33892256
Seryllysine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CO[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	3232.7	Semi standard non polar	33892256
Seryllysine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CO[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	3080.1	Standard non polar	33892256
Seryllysine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[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	3310.0	Semi standard non polar	33892256
Seryllysine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[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	3101.8	Standard non polar	33892256
Seryllysine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CO)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	3427.3	Semi standard non polar	33892256
Seryllysine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CO)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	3131.3	Standard non polar	33892256
Seryllysine,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](CO)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3232.3	Semi standard non polar	33892256
Seryllysine,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](CO)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3078.7	Standard non polar	33892256
Seryllysine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CO)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	3432.8	Semi standard non polar	33892256
Seryllysine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CO)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	3149.8	Standard non polar	33892256
Seryllysine,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)CO)[Si](C)(C)C(C)(C)C	3313.0	Semi standard non polar	33892256
Seryllysine,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)CO)[Si](C)(C)C(C)(C)C	3134.5	Standard non polar	33892256
Seryllysine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)N(C(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3269.1	Semi standard non polar	33892256
Seryllysine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)N(C(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3123.0	Standard non polar	33892256
Seryllysine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(CCCC[C@H](NC(=O)[C@H](CO)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	3570.0	Semi standard non polar	33892256
Seryllysine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(CCCC[C@H](NC(=O)[C@H](CO)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	3209.9	Standard non polar	33892256
Seryllysine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CO)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	3364.8	Semi standard non polar	33892256
Seryllysine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CO)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	3137.9	Standard non polar	33892256
Seryllysine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3384.5	Semi standard non polar	33892256
Seryllysine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3163.6	Standard non polar	33892256
Seryllysine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[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	3325.9	Semi standard non polar	33892256
Seryllysine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[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	3078.4	Standard non polar	33892256
Seryllysine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CO[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	3153.5	Semi standard non polar	33892256
Seryllysine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CO[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	3046.2	Standard non polar	33892256
Seryllysine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[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	3381.7	Semi standard non polar	33892256
Seryllysine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[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	3095.9	Standard non polar	33892256
Seryllysine,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)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3179.8	Semi standard non polar	33892256
Seryllysine,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)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3061.3	Standard non polar	33892256
Seryllysine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CO[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	3413.5	Semi standard non polar	33892256
Seryllysine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CO[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	3153.5	Standard non polar	33892256
Seryllysine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CO[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3234.9	Semi standard non polar	33892256
Seryllysine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CO[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3084.5	Standard non polar	33892256
Seryllysine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CO[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	3453.1	Semi standard non polar	33892256
Seryllysine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CO[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	3154.1	Standard non polar	33892256
Seryllysine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[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	3294.9	Semi standard non polar	33892256
Seryllysine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[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	3104.6	Standard non polar	33892256
Seryllysine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CO[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	3623.2	Semi standard non polar	33892256
Seryllysine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CO[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	3280.3	Standard non polar	33892256
Seryllysine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CO)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	3576.5	Semi standard non polar	33892256
Seryllysine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CO)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	3294.5	Standard non polar	33892256
Seryllysine,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](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3585.6	Semi standard non polar	33892256
Seryllysine,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](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3329.5	Standard non polar	33892256
Seryllysine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CO)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	3699.2	Semi standard non polar	33892256
Seryllysine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CO)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	3383.1	Standard non polar	33892256
Seryllysine,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](CO[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3399.1	Semi standard non polar	33892256
Seryllysine,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](CO[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3235.1	Standard non polar	33892256
Seryllysine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CO[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	3629.1	Semi standard non polar	33892256
Seryllysine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CO[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	3289.3	Standard non polar	33892256
Seryllysine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[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	3531.8	Semi standard non polar	33892256
Seryllysine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[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	3275.4	Standard non polar	33892256
Seryllysine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[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	3546.3	Semi standard non polar	33892256
Seryllysine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[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	3272.8	Standard non polar	33892256
Seryllysine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[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	3785.2	Semi standard non polar	33892256
Seryllysine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[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	3353.3	Standard non polar	33892256
Seryllysine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CO[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	3571.9	Semi standard non polar	33892256
Seryllysine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CO[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	3291.4	Standard non polar	33892256
Seryllysine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CO[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	3615.5	Semi standard non polar	33892256
Seryllysine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CO[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	3315.2	Standard non polar	33892256
Seryllysine,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](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3762.2	Semi standard non polar	33892256
Seryllysine,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](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3361.4	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Seryllysine 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 - Seryllysine 10V, Positive-QTOF	splash10-02u0-7490000000-a76f749e753aa3b43b2f	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Seryllysine 20V, Positive-QTOF	splash10-03di-9620000000-cf25b78a37fde33a0412	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Seryllysine 40V, Positive-QTOF	splash10-01po-9200000000-040a8a9425a9b59195c8	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Seryllysine 10V, Negative-QTOF	splash10-001i-0390000000-e4691aaceab66beca23d	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Seryllysine 20V, Negative-QTOF	splash10-0il1-4940000000-95132c73d38b3ee7cc7c	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Seryllysine 40V, Negative-QTOF	splash10-0bvm-9200000000-2e2f4e94639f18af6e40	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Seryllysine 10V, Positive-QTOF	splash10-001i-0290000000-606eeab7b78cdf1e1262	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Seryllysine 20V, Positive-QTOF	splash10-001i-4930000000-eb801ae265711a27c196	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Seryllysine 40V, Positive-QTOF	splash10-08fr-9100000000-ea22be7e6687a54c3cf5	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Seryllysine 10V, Negative-QTOF	splash10-001i-0090000000-4ce220162191e0e437cb	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Seryllysine 20V, Negative-QTOF	splash10-0002-3910000000-6012a3cc8c723298fa1e	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Seryllysine 40V, Negative-QTOF	splash10-0006-9300000000-e5b9580fec18f4d490d0	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

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

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

FDB112052

KNApSAcK ID

Not Available

Chemspider ID

17279435

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

16122513

PDB ID

Not Available

ChEBI ID

144702

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

Yamamoto H, Imamura Y, Tagaya M, Fukui T, Kawakita M: Ca2(+)-dependent conformational change of the ATP-binding site of Ca2(+)-transporting ATPase of sarcoplasmic reticulum as revealed by an alteration of the target-site specificity of adenosine triphosphopyridoxal. J Biochem. 1989 Dec;106(6):1121-5. [PubMed:2534125 ]

Showing metabocard for Seryllysine (HMDB0029044)

MOL for HMDB0029044 (Seryllysine)

3D MOL for HMDB0029044 (Seryllysine)

3D SDF for HMDB0029044 (Seryllysine)

3D-SDF for HMDB0029044 (Seryllysine)

PDB for HMDB0029044 (Seryllysine)

3D PDB for HMDB0029044 (Seryllysine)

SMILES for HMDB0029044 (Seryllysine)

INCHI for HMDB0029044 (Seryllysine)

Structure for HMDB0029044 (Seryllysine)

3D Structure for HMDB0029044 (Seryllysine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra