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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-06 21:03:06 UTC

Update Date

2021-09-14 15:47:05 UTC

HMDB ID

HMDB0028953

Secondary Accession Numbers

HMDB28953

Metabolite Identification

Common Name

Lysylhistidine

Description

Lysylhistidine is a dipeptide composed of lysine and histidine. 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

HMDB0028953
     RDKit          3D
Lysylhistidine
 41 41  0  0  0  0  0  0  0  0999 V2000
    4.7951   -0.5817   -2.0456 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0649   -1.6341   -1.3845 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6217   -1.0968   -0.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7480    0.1069   -0.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2970    0.7231    1.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4831   -0.1469    1.9751 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0930   -1.3421    2.4499 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2347   -0.4948    1.2009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1112   -1.6711    1.0609 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5109    0.5534    0.6518 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7450    0.2230   -0.1145 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8191    1.0400    0.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1653    0.8087   -0.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2558    1.6477    0.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3165    1.1462   -0.4290 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9361    0.0355   -1.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6246   -0.1711   -0.8354 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4977    0.7120   -1.5057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3950    1.2563   -1.8328 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4383    0.5966   -2.4754 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3127   -0.0328   -1.3321 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0985    0.0461   -2.5055 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7205   -2.5020   -1.1572 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2035   -1.9956   -1.9478 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1354   -1.9059    0.5560 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5565   -0.8308    0.5250 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2872    0.8751   -0.8144 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8480   -0.1371   -0.8069 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2002    1.0613    1.6854 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7456    1.6848    0.9051 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1949    0.4526    2.8786 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3193   -1.3169    3.4776 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5174   -2.2002    2.3080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2853    1.5657    0.7261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8948   -0.8491   -0.1428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8666    0.7928    1.6070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5638    2.1217    0.4285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1932    2.5330    0.7989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5282   -0.6454   -1.6745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0628   -0.9969   -1.2035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2671    0.5687   -3.4690 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
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 11 18  1  0
 18 19  2  0
 18 20  1  0
 17 13  1  0
  1 21  1  0
  1 22  1  0
  2 23  1  0
  2 24  1  0
  3 25  1  0
  3 26  1  0
  4 27  1  0
  4 28  1  0
  5 29  1  0
  5 30  1  0
  6 31  1  1
  7 32  1  0
  7 33  1  0
 10 34  1  0
 11 35  1  6
 12 36  1  0
 12 37  1  0
 14 38  1  0
 16 39  1  0
 17 40  1  0
 20 41  1  0
M  END

      
  Mrv1652304062013592D          

 20 20  0  0  0  0            999 V2000
10002.474810000.6868    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10001.760510000.2743    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10001.045910000.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.330610000.2743    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9999.616610000.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.902510000.2743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.186410000.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.472110000.2743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.756110000.6868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10000.3306 9999.4493    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10001.045910001.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.760510001.9252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.189510001.9252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.474810001.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.189510000.2743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.903910000.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.657710000.3513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10005.209710000.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.797210001.6789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10003.990210001.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  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 12  2  0  0  0  0
 14 13  1  0  0  0  0
  1 14  1  6  0  0  0
  1 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 20  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0028953

> <DATABASE_NAME>
hmdb

> <SMILES>
NCCCC[C@H](N)C(=O)N[C@@H](CC1=CN=CN1)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C12H21N5O3/c13-4-2-1-3-9(14)11(18)17-10(12(19)20)5-8-6-15-7-16-8/h6-7,9-10H,1-5,13-14H2,(H,15,16)(H,17,18)(H,19,20)/t9-,10-/m0/s1

> <INCHI_KEY>
IGRMTQMIDNDFAA-UWVGGRQHSA-N

> <FORMULA>
C12H21N5O3

> <MOLECULAR_WEIGHT>
283.332

> <EXACT_MASS>
283.164439556

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_POLARIZABILITY>
29.106740244448225

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-imidazol-5-yl)propanoic acid

> <ALOGPS_LOGP>
-3.01

> <JCHEM_LOGP>
-4.401394275724775

> <ALOGPS_LOGS>
-1.65

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA>
12.80101002246639

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.4007905533175267

> <JCHEM_PKA_STRONGEST_BASIC>
10.211637113734097

> <JCHEM_POLAR_SURFACE_AREA>
147.12

> <JCHEM_REFRACTIVITY>
72.66859999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.34e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(3H-imidazol-4-yl)propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0028953
     RDKit          3D
Lysylhistidine
 41 41  0  0  0  0  0  0  0  0999 V2000
    4.7951   -0.5817   -2.0456 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0649   -1.6341   -1.3845 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6217   -1.0968   -0.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7480    0.1069   -0.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2970    0.7231    1.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4831   -0.1469    1.9751 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0930   -1.3421    2.4499 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2347   -0.4948    1.2009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1112   -1.6711    1.0609 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5109    0.5534    0.6518 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7450    0.2230   -0.1145 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8191    1.0400    0.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1653    0.8087   -0.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2558    1.6477    0.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3165    1.1462   -0.4290 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9361    0.0355   -1.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6246   -0.1711   -0.8354 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4977    0.7120   -1.5057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3950    1.2563   -1.8328 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4383    0.5966   -2.4754 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3127   -0.0328   -1.3321 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0985    0.0461   -2.5055 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7205   -2.5020   -1.1572 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2035   -1.9956   -1.9478 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1354   -1.9059    0.5560 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5565   -0.8308    0.5250 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2872    0.8751   -0.8144 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8480   -0.1371   -0.8069 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2002    1.0613    1.6854 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7456    1.6848    0.9051 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1949    0.4526    2.8786 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3193   -1.3169    3.4776 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5174   -2.2002    2.3080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2853    1.5657    0.7261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8948   -0.8491   -0.1428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8666    0.7928    1.6070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5638    2.1217    0.4285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1932    2.5330    0.7989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5282   -0.6454   -1.6745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0628   -0.9969   -1.2035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2671    0.5687   -3.4690 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
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 11 18  1  0
 18 19  2  0
 18 20  1  0
 17 13  1  0
  1 21  1  0
  1 22  1  0
  2 23  1  0
  2 24  1  0
  3 25  1  0
  3 26  1  0
  4 27  1  0
  4 28  1  0
  5 29  1  0
  5 30  1  0
  6 31  1  1
  7 32  1  0
  7 33  1  0
 10 34  1  0
 11 35  1  6
 12 36  1  0
 12 37  1  0
 14 38  1  0
 16 39  1  0
 17 40  1  0
 20 41  1  0
M  END

HEADER    PROTEIN                                 06-APR-20   NONE
TITLE     NULL                                                        
COMPND    MOLECULE:                                                   
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-APR-20         0                                  
HETATM    1  C   UNK     0    8671.2868667.949   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0    8669.9538667.179   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0    8668.6198667.949   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    8667.2848667.179   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0    8665.9518667.949   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    8664.6188667.179   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8663.2818667.949   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8661.9488667.179   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0    8660.6118667.949   0.000  0.00  0.00           N+0
HETATM   10  N   UNK     0    8667.2848665.639   0.000  0.00  0.00           N+0
HETATM   11  O   UNK     0    8668.6198669.490   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0    8669.9538670.260   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0    8672.6208670.260   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0    8671.2868669.490   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8672.6208667.179   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8673.9548667.949   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0    8675.3618667.322   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0    8676.3918668.467   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0    8675.6218669.801   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0    8674.1158669.480   0.000  0.00  0.00           C+0
CONECT    1    2   14   15                                                  
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   14                                                            
CONECT   13   14                                                            
CONECT   14   12   13    1                                                  
CONECT   15    1   16                                                       
CONECT   16   15   20   17                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   20   18                                                       
CONECT   20   16   19                                                       
MASTER        0    0    0    0    0    0    0    0   20    0   40    0
END

COMPND    HMDB0028953
HETATM    1  N1  UNL     1       4.795  -0.582  -2.046  1.00  0.00           N  
HETATM    2  C1  UNL     1       4.065  -1.634  -1.384  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.622  -1.097  -0.004  1.00  0.00           C  
HETATM    4  C3  UNL     1       2.748   0.107  -0.188  1.00  0.00           C  
HETATM    5  C4  UNL     1       2.297   0.723   1.094  1.00  0.00           C  
HETATM    6  C5  UNL     1       1.483  -0.147   1.975  1.00  0.00           C  
HETATM    7  N2  UNL     1       2.093  -1.342   2.450  1.00  0.00           N  
HETATM    8  C6  UNL     1       0.235  -0.495   1.201  1.00  0.00           C  
HETATM    9  O1  UNL     1      -0.111  -1.671   1.061  1.00  0.00           O  
HETATM   10  N3  UNL     1      -0.511   0.553   0.652  1.00  0.00           N  
HETATM   11  C7  UNL     1      -1.745   0.223  -0.114  1.00  0.00           C  
HETATM   12  C8  UNL     1      -2.819   1.040   0.517  1.00  0.00           C  
HETATM   13  C9  UNL     1      -4.165   0.809  -0.061  1.00  0.00           C  
HETATM   14  C10 UNL     1      -5.256   1.648   0.195  1.00  0.00           C  
HETATM   15  N4  UNL     1      -6.317   1.146  -0.429  1.00  0.00           N  
HETATM   16  C11 UNL     1      -5.936   0.036  -1.060  1.00  0.00           C  
HETATM   17  N5  UNL     1      -4.625  -0.171  -0.835  1.00  0.00           N  
HETATM   18  C12 UNL     1      -1.498   0.712  -1.506  1.00  0.00           C  
HETATM   19  O2  UNL     1      -0.395   1.256  -1.833  1.00  0.00           O  
HETATM   20  O3  UNL     1      -2.438   0.597  -2.475  1.00  0.00           O  
HETATM   21  H1  UNL     1       5.313  -0.033  -1.332  1.00  0.00           H  
HETATM   22  H2  UNL     1       4.098   0.046  -2.505  1.00  0.00           H  
HETATM   23  H3  UNL     1       4.721  -2.502  -1.157  1.00  0.00           H  
HETATM   24  H4  UNL     1       3.203  -1.996  -1.948  1.00  0.00           H  
HETATM   25  H5  UNL     1       3.135  -1.906   0.556  1.00  0.00           H  
HETATM   26  H6  UNL     1       4.557  -0.831   0.525  1.00  0.00           H  
HETATM   27  H7  UNL     1       3.287   0.875  -0.814  1.00  0.00           H  
HETATM   28  H8  UNL     1       1.848  -0.137  -0.807  1.00  0.00           H  
HETATM   29  H9  UNL     1       3.200   1.061   1.685  1.00  0.00           H  
HETATM   30  H10 UNL     1       1.746   1.685   0.905  1.00  0.00           H  
HETATM   31  H11 UNL     1       1.195   0.453   2.879  1.00  0.00           H  
HETATM   32  H12 UNL     1       2.319  -1.317   3.478  1.00  0.00           H  
HETATM   33  H13 UNL     1       1.517  -2.200   2.308  1.00  0.00           H  
HETATM   34  H14 UNL     1      -0.285   1.566   0.726  1.00  0.00           H  
HETATM   35  H15 UNL     1      -1.895  -0.849  -0.143  1.00  0.00           H  
HETATM   36  H16 UNL     1      -2.867   0.793   1.607  1.00  0.00           H  
HETATM   37  H17 UNL     1      -2.564   2.122   0.429  1.00  0.00           H  
HETATM   38  H18 UNL     1      -5.193   2.533   0.799  1.00  0.00           H  
HETATM   39  H19 UNL     1      -6.528  -0.645  -1.674  1.00  0.00           H  
HETATM   40  H20 UNL     1      -4.063  -0.997  -1.203  1.00  0.00           H  
HETATM   41  H21 UNL     1      -2.267   0.569  -3.469  1.00  0.00           H  
CONECT    1    2   21   22
CONECT    2    3   23   24
CONECT    3    4   25   26
CONECT    4    5   27   28
CONECT    5    6   29   30
CONECT    6    7    8   31
CONECT    7   32   33
CONECT    8    9    9   10
CONECT   10   11   34
CONECT   11   12   18   35
CONECT   12   13   36   37
CONECT   13   14   14   17
CONECT   14   15   38
CONECT   15   16   16
CONECT   16   17   39
CONECT   17   40
CONECT   18   19   19   20
CONECT   20   41
END

HMDB0028953
     RDKit          3D
Lysylhistidine
 41 41  0  0  0  0  0  0  0  0999 V2000
    4.7951   -0.5817   -2.0456 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0649   -1.6341   -1.3845 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6217   -1.0968   -0.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7480    0.1069   -0.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2970    0.7231    1.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4831   -0.1469    1.9751 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0930   -1.3421    2.4499 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2347   -0.4948    1.2009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1112   -1.6711    1.0609 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5109    0.5534    0.6518 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7450    0.2230   -0.1145 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8191    1.0400    0.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1653    0.8087   -0.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2558    1.6477    0.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3165    1.1462   -0.4290 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9361    0.0355   -1.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6246   -0.1711   -0.8354 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4977    0.7120   -1.5057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3950    1.2563   -1.8328 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4383    0.5966   -2.4754 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3127   -0.0328   -1.3321 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0985    0.0461   -2.5055 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7205   -2.5020   -1.1572 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2035   -1.9956   -1.9478 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1354   -1.9059    0.5560 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5565   -0.8308    0.5250 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2872    0.8751   -0.8144 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8480   -0.1371   -0.8069 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2002    1.0613    1.6854 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7456    1.6848    0.9051 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1949    0.4526    2.8786 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3193   -1.3169    3.4776 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5174   -2.2002    2.3080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2853    1.5657    0.7261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8948   -0.8491   -0.1428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8666    0.7928    1.6070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5638    2.1217    0.4285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1932    2.5330    0.7989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5282   -0.6454   -1.6745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0628   -0.9969   -1.2035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2671    0.5687   -3.4690 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
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 11 18  1  0
 18 19  2  0
 18 20  1  0
 17 13  1  0
  1 21  1  0
  1 22  1  0
  2 23  1  0
  2 24  1  0
  3 25  1  0
  3 26  1  0
  4 27  1  0
  4 28  1  0
  5 29  1  0
  5 30  1  0
  6 31  1  1
  7 32  1  0
  7 33  1  0
 10 34  1  0
 11 35  1  6
 12 36  1  0
 12 37  1  0
 14 38  1  0
 16 39  1  0
 17 40  1  0
 20 41  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
K-H Dipeptide	HMDB
KH Dipeptide	HMDB
L-Lys-L-his	HMDB
L-Lysyl-L-histidine	HMDB
Lys-his	HMDB
Lysine histidine dipeptide	HMDB
Lysine-histidine dipeptide	HMDB
Lysyl-histidine	HMDB
N-L-Lysyl-L-histidine	HMDB
N-Lysylhistidine	HMDB
Lysylhistidine	HMDB

Chemical Formula

C₁₂H₂₁N₅O₃

Average Molecular Weight

283.332

Monoisotopic Molecular Weight

283.164439556

IUPAC Name

(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-imidazol-5-yl)propanoic acid

Traditional Name

(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(3H-imidazol-4-yl)propanoic acid

CAS Registry Number

35170-01-5

SMILES

NCCCC[C@H](N)C(=O)N[C@@H](CC1=CN=CN1)C(O)=O

InChI Identifier

InChI=1S/C12H21N5O3/c13-4-2-1-3-9(14)11(18)17-10(12(19)20)5-8-6-15-7-16-8/h6-7,9-10H,1-5,13-14H2,(H,15,16)(H,17,18)(H,19,20)/t9-,10-/m0/s1

InChI Key

IGRMTQMIDNDFAA-UWVGGRQHSA-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
Histidine or derivatives
N-acyl-l-alpha-amino acid
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Alpha-amino acid or derivatives
Imidazolyl carboxylic acid derivative
Fatty amide
N-acyl-amine
Fatty acyl
Azole
Imidazole
Heteroaromatic compound
Secondary carboxylic acid amide
Amino acid or derivatives
Carboxamide group
Amino acid
Organoheterocyclic compound
Azacycle
Monocarboxylic acid or derivatives
Carboxylic acid
Organooxygen compound
Organic oxygen compound
Organic oxide
Primary aliphatic amine
Hydrocarbon derivative
Carbonyl group
Organic nitrogen compound
Amine
Primary amine
Organonitrogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

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	-4.34	Extrapolated

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	6.34 g/L	ALOGPS
logP	-3	ALOGPS
logP	-4.4	ChemAxon
logS	-1.6	ALOGPS
pKa (Strongest Acidic)	3.4	ChemAxon
pKa (Strongest Basic)	10.21	ChemAxon
Physiological Charge	2	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	147.12 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	72.67 m³·mol⁻¹	ChemAxon
Polarizability	29.11 Å³	ChemAxon
Number of Rings	1	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]+	172.566	30932474
DeepCCS	[M-H]-	170.208	30932474
DeepCCS	[M-2H]-	203.095	30932474
DeepCCS	[M+Na]+	178.66	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Lysylhistidine	NCCCC[C@H](N)C(=O)N[C@@H](CC1=CN=CN1)C(O)=O	3447.3	Standard polar	33892256
Lysylhistidine	NCCCC[C@H](N)C(=O)N[C@@H](CC1=CN=CN1)C(O)=O	2543.6	Standard non polar	33892256
Lysylhistidine	NCCCC[C@H](N)C(=O)N[C@@H](CC1=CN=CN1)C(O)=O	2940.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Lysylhistidine,1TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)NC(=O)[C@@H](N)CCCCN	2769.1	Semi standard non polar	33892256
Lysylhistidine,1TMS,isomer #2	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O	2923.0	Semi standard non polar	33892256
Lysylhistidine,1TMS,isomer #3	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O	2826.4	Semi standard non polar	33892256
Lysylhistidine,1TMS,isomer #4	C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN)[C@@H](CC1=CN=C[NH]1)C(=O)O	2708.7	Semi standard non polar	33892256
Lysylhistidine,1TMS,isomer #5	C[Si](C)(C)N1C=NC=C1C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O	2857.5	Semi standard non polar	33892256
Lysylhistidine,2TMS,isomer #1	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C	2834.5	Semi standard non polar	33892256
Lysylhistidine,2TMS,isomer #1	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C	2654.7	Standard non polar	33892256
Lysylhistidine,2TMS,isomer #10	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C	2748.0	Semi standard non polar	33892256
Lysylhistidine,2TMS,isomer #10	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C	2728.3	Standard non polar	33892256
Lysylhistidine,2TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O	2910.9	Semi standard non polar	33892256
Lysylhistidine,2TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O	2783.1	Standard non polar	33892256
Lysylhistidine,2TMS,isomer #12	C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN)[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O	2803.5	Semi standard non polar	33892256
Lysylhistidine,2TMS,isomer #12	C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN)[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O	2705.3	Standard non polar	33892256
Lysylhistidine,2TMS,isomer #2	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C	2929.3	Semi standard non polar	33892256
Lysylhistidine,2TMS,isomer #2	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C	2661.6	Standard non polar	33892256
Lysylhistidine,2TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)NC(=O)[C@@H](N)CCCCN	2873.0	Semi standard non polar	33892256
Lysylhistidine,2TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)NC(=O)[C@@H](N)CCCCN	2618.5	Standard non polar	33892256
Lysylhistidine,2TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C	2698.6	Semi standard non polar	33892256
Lysylhistidine,2TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C	2609.0	Standard non polar	33892256
Lysylhistidine,2TMS,isomer #5	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O	2967.1	Semi standard non polar	33892256
Lysylhistidine,2TMS,isomer #5	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O	2877.0	Standard non polar	33892256
Lysylhistidine,2TMS,isomer #6	C[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C	3045.2	Semi standard non polar	33892256
Lysylhistidine,2TMS,isomer #6	C[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C	2854.3	Standard non polar	33892256
Lysylhistidine,2TMS,isomer #7	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C	2824.4	Semi standard non polar	33892256
Lysylhistidine,2TMS,isomer #7	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C	2781.3	Standard non polar	33892256
Lysylhistidine,2TMS,isomer #8	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O	2993.5	Semi standard non polar	33892256
Lysylhistidine,2TMS,isomer #8	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O	2774.4	Standard non polar	33892256
Lysylhistidine,2TMS,isomer #9	C[Si](C)(C)N([C@@H](CCCCN)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C	2901.4	Semi standard non polar	33892256
Lysylhistidine,2TMS,isomer #9	C[Si](C)(C)N([C@@H](CCCCN)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C	2824.8	Standard non polar	33892256
Lysylhistidine,3TMS,isomer #1	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C	2931.9	Semi standard non polar	33892256
Lysylhistidine,3TMS,isomer #1	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C	2774.1	Standard non polar	33892256
Lysylhistidine,3TMS,isomer #10	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3019.5	Semi standard non polar	33892256
Lysylhistidine,3TMS,isomer #10	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2946.0	Standard non polar	33892256
Lysylhistidine,3TMS,isomer #11	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C	2838.9	Semi standard non polar	33892256
Lysylhistidine,3TMS,isomer #11	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C	2846.0	Standard non polar	33892256
Lysylhistidine,3TMS,isomer #12	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O	3030.3	Semi standard non polar	33892256
Lysylhistidine,3TMS,isomer #12	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O	2867.3	Standard non polar	33892256
Lysylhistidine,3TMS,isomer #13	C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CN=C[NH]1)C(=O)O	2938.6	Semi standard non polar	33892256
Lysylhistidine,3TMS,isomer #13	C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CN=C[NH]1)C(=O)O	2880.4	Standard non polar	33892256
Lysylhistidine,3TMS,isomer #14	C[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3152.2	Semi standard non polar	33892256
Lysylhistidine,3TMS,isomer #14	C[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2900.3	Standard non polar	33892256
Lysylhistidine,3TMS,isomer #15	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2909.4	Semi standard non polar	33892256
Lysylhistidine,3TMS,isomer #15	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2839.8	Standard non polar	33892256
Lysylhistidine,3TMS,isomer #16	C[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CN=C[NH]1)C(=O)O	2850.4	Semi standard non polar	33892256
Lysylhistidine,3TMS,isomer #16	C[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CN=C[NH]1)C(=O)O	2824.4	Standard non polar	33892256
Lysylhistidine,3TMS,isomer #17	C[Si](C)(C)N([C@@H](CCCCN)C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3019.9	Semi standard non polar	33892256
Lysylhistidine,3TMS,isomer #17	C[Si](C)(C)N([C@@H](CCCCN)C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2902.3	Standard non polar	33892256
Lysylhistidine,3TMS,isomer #18	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2868.9	Semi standard non polar	33892256
Lysylhistidine,3TMS,isomer #18	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2805.2	Standard non polar	33892256
Lysylhistidine,3TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C	2869.7	Semi standard non polar	33892256
Lysylhistidine,3TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C	2768.2	Standard non polar	33892256
Lysylhistidine,3TMS,isomer #3	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2728.2	Semi standard non polar	33892256
Lysylhistidine,3TMS,isomer #3	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2688.5	Standard non polar	33892256
Lysylhistidine,3TMS,isomer #4	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2920.7	Semi standard non polar	33892256
Lysylhistidine,3TMS,isomer #4	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2731.8	Standard non polar	33892256
Lysylhistidine,3TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C	3022.8	Semi standard non polar	33892256
Lysylhistidine,3TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C	2774.2	Standard non polar	33892256
Lysylhistidine,3TMS,isomer #6	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2804.1	Semi standard non polar	33892256
Lysylhistidine,3TMS,isomer #6	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2728.1	Standard non polar	33892256
Lysylhistidine,3TMS,isomer #7	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2995.1	Semi standard non polar	33892256
Lysylhistidine,3TMS,isomer #7	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2729.6	Standard non polar	33892256
Lysylhistidine,3TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C	2808.9	Semi standard non polar	33892256
Lysylhistidine,3TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C	2711.3	Standard non polar	33892256
Lysylhistidine,3TMS,isomer #9	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O	3058.5	Semi standard non polar	33892256
Lysylhistidine,3TMS,isomer #9	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O	2929.9	Standard non polar	33892256
Lysylhistidine,4TMS,isomer #1	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C	3032.1	Semi standard non polar	33892256
Lysylhistidine,4TMS,isomer #1	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C	2853.3	Standard non polar	33892256
Lysylhistidine,4TMS,isomer #10	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2885.7	Semi standard non polar	33892256
Lysylhistidine,4TMS,isomer #10	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2833.3	Standard non polar	33892256
Lysylhistidine,4TMS,isomer #11	C[Si](C)(C)N(CCCC[C@@H](C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3137.8	Semi standard non polar	33892256
Lysylhistidine,4TMS,isomer #11	C[Si](C)(C)N(CCCC[C@@H](C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3010.7	Standard non polar	33892256
Lysylhistidine,4TMS,isomer #12	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C	2972.2	Semi standard non polar	33892256
Lysylhistidine,4TMS,isomer #12	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C	2920.5	Standard non polar	33892256
Lysylhistidine,4TMS,isomer #13	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O	3167.6	Semi standard non polar	33892256
Lysylhistidine,4TMS,isomer #13	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O	2965.8	Standard non polar	33892256
Lysylhistidine,4TMS,isomer #14	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2927.6	Semi standard non polar	33892256
Lysylhistidine,4TMS,isomer #14	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2927.6	Standard non polar	33892256
Lysylhistidine,4TMS,isomer #15	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3111.5	Semi standard non polar	33892256
Lysylhistidine,4TMS,isomer #15	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2981.2	Standard non polar	33892256
Lysylhistidine,4TMS,isomer #16	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2952.3	Semi standard non polar	33892256
Lysylhistidine,4TMS,isomer #16	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2918.6	Standard non polar	33892256
Lysylhistidine,4TMS,isomer #17	C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O	3070.0	Semi standard non polar	33892256
Lysylhistidine,4TMS,isomer #17	C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O	2960.8	Standard non polar	33892256
Lysylhistidine,4TMS,isomer #18	C[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O	2996.5	Semi standard non polar	33892256
Lysylhistidine,4TMS,isomer #18	C[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O	2932.6	Standard non polar	33892256
Lysylhistidine,4TMS,isomer #2	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2951.4	Semi standard non polar	33892256
Lysylhistidine,4TMS,isomer #2	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2874.8	Standard non polar	33892256
Lysylhistidine,4TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2807.3	Semi standard non polar	33892256
Lysylhistidine,4TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2807.5	Standard non polar	33892256
Lysylhistidine,4TMS,isomer #4	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	3009.5	Semi standard non polar	33892256
Lysylhistidine,4TMS,isomer #4	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2844.8	Standard non polar	33892256
Lysylhistidine,4TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C	2997.4	Semi standard non polar	33892256
Lysylhistidine,4TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C	2875.7	Standard non polar	33892256
Lysylhistidine,4TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2852.7	Semi standard non polar	33892256
Lysylhistidine,4TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2805.4	Standard non polar	33892256
Lysylhistidine,4TMS,isomer #7	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2847.7	Semi standard non polar	33892256
Lysylhistidine,4TMS,isomer #7	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2803.9	Standard non polar	33892256
Lysylhistidine,4TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C	3117.9	Semi standard non polar	33892256
Lysylhistidine,4TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C	2872.4	Standard non polar	33892256
Lysylhistidine,4TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2928.7	Semi standard non polar	33892256
Lysylhistidine,4TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2832.4	Standard non polar	33892256
Lysylhistidine,5TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3123.7	Semi standard non polar	33892256
Lysylhistidine,5TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2951.1	Standard non polar	33892256
Lysylhistidine,5TMS,isomer #10	C[Si](C)(C)N(CCCC[C@@H](C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3273.1	Semi standard non polar	33892256
Lysylhistidine,5TMS,isomer #10	C[Si](C)(C)N(CCCC[C@@H](C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3082.6	Standard non polar	33892256
Lysylhistidine,5TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3128.9	Semi standard non polar	33892256
Lysylhistidine,5TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3018.3	Standard non polar	33892256
Lysylhistidine,5TMS,isomer #12	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3073.9	Semi standard non polar	33892256
Lysylhistidine,5TMS,isomer #12	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3038.5	Standard non polar	33892256
Lysylhistidine,5TMS,isomer #2	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2967.5	Semi standard non polar	33892256
Lysylhistidine,5TMS,isomer #2	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2884.8	Standard non polar	33892256
Lysylhistidine,5TMS,isomer #3	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	3141.1	Semi standard non polar	33892256
Lysylhistidine,5TMS,isomer #3	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2938.1	Standard non polar	33892256
Lysylhistidine,5TMS,isomer #4	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2950.3	Semi standard non polar	33892256
Lysylhistidine,5TMS,isomer #4	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2901.4	Standard non polar	33892256
Lysylhistidine,5TMS,isomer #5	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3076.0	Semi standard non polar	33892256
Lysylhistidine,5TMS,isomer #5	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2969.2	Standard non polar	33892256
Lysylhistidine,5TMS,isomer #6	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2931.7	Semi standard non polar	33892256
Lysylhistidine,5TMS,isomer #6	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2910.9	Standard non polar	33892256
Lysylhistidine,5TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2999.7	Semi standard non polar	33892256
Lysylhistidine,5TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2932.8	Standard non polar	33892256
Lysylhistidine,5TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3059.2	Semi standard non polar	33892256
Lysylhistidine,5TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2949.1	Standard non polar	33892256
Lysylhistidine,5TMS,isomer #9	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](CC1=CN=C[NH]1)C(=O)O	3109.7	Semi standard non polar	33892256
Lysylhistidine,5TMS,isomer #9	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](CC1=CN=C[NH]1)C(=O)O	3011.9	Standard non polar	33892256
Lysylhistidine,6TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3265.0	Semi standard non polar	33892256
Lysylhistidine,6TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3059.1	Standard non polar	33892256
Lysylhistidine,6TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)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	3167.2	Semi standard non polar	33892256
Lysylhistidine,6TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)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	2981.6	Standard non polar	33892256
Lysylhistidine,6TMS,isomer #3	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3105.8	Semi standard non polar	33892256
Lysylhistidine,6TMS,isomer #3	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3006.7	Standard non polar	33892256
Lysylhistidine,6TMS,isomer #4	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3100.1	Semi standard non polar	33892256
Lysylhistidine,6TMS,isomer #4	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3022.7	Standard non polar	33892256
Lysylhistidine,6TMS,isomer #5	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](CC1=CN=CN1[Si](C)(C)C)C(=O)O	3277.4	Semi standard non polar	33892256
Lysylhistidine,6TMS,isomer #5	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](CC1=CN=CN1[Si](C)(C)C)C(=O)O	3129.7	Standard non polar	33892256
Lysylhistidine,7TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[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	3317.2	Semi standard non polar	33892256
Lysylhistidine,7TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[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	3116.7	Standard non polar	33892256
Lysylhistidine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)NC(=O)[C@@H](N)CCCCN	3035.1	Semi standard non polar	33892256
Lysylhistidine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O	3128.0	Semi standard non polar	33892256
Lysylhistidine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O	3049.1	Semi standard non polar	33892256
Lysylhistidine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCCCN)[C@@H](CC1=CN=C[NH]1)C(=O)O	2963.9	Semi standard non polar	33892256
Lysylhistidine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N1C=NC=C1C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O	3129.9	Semi standard non polar	33892256
Lysylhistidine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3297.9	Semi standard non polar	33892256
Lysylhistidine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3044.9	Standard non polar	33892256
Lysylhistidine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C	3236.3	Semi standard non polar	33892256
Lysylhistidine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C	3090.8	Standard non polar	33892256
Lysylhistidine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O	3405.8	Semi standard non polar	33892256
Lysylhistidine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O	3156.7	Standard non polar	33892256
Lysylhistidine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCCCN)[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O	3346.8	Semi standard non polar	33892256
Lysylhistidine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCCCN)[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O	3099.7	Standard non polar	33892256
Lysylhistidine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3366.0	Semi standard non polar	33892256
Lysylhistidine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3043.8	Standard non polar	33892256
Lysylhistidine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)NC(=O)[C@@H](N)CCCCN	3415.9	Semi standard non polar	33892256
Lysylhistidine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)NC(=O)[C@@H](N)CCCCN	3025.3	Standard non polar	33892256
Lysylhistidine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C(C)(C)C	3213.9	Semi standard non polar	33892256
Lysylhistidine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C(C)(C)C	3014.0	Standard non polar	33892256
Lysylhistidine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O	3389.3	Semi standard non polar	33892256
Lysylhistidine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O	3197.8	Standard non polar	33892256
Lysylhistidine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C	3458.9	Semi standard non polar	33892256
Lysylhistidine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C	3180.5	Standard non polar	33892256
Lysylhistidine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C	3302.1	Semi standard non polar	33892256
Lysylhistidine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C	3126.1	Standard non polar	33892256
Lysylhistidine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O	3501.6	Semi standard non polar	33892256
Lysylhistidine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O	3137.6	Standard non polar	33892256
Lysylhistidine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N([C@@H](CCCCN)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C	3346.7	Semi standard non polar	33892256
Lysylhistidine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N([C@@H](CCCCN)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C	3166.5	Standard non polar	33892256
Lysylhistidine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3593.6	Semi standard non polar	33892256
Lysylhistidine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3280.5	Standard non polar	33892256
Lysylhistidine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3694.9	Semi standard non polar	33892256
Lysylhistidine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3393.6	Standard non polar	33892256
Lysylhistidine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C	3528.1	Semi standard non polar	33892256
Lysylhistidine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C	3304.0	Standard non polar	33892256
Lysylhistidine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O	3737.2	Semi standard non polar	33892256
Lysylhistidine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O	3384.4	Standard non polar	33892256
Lysylhistidine,3TBDMS,isomer #13	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](CC1=CN=C[NH]1)C(=O)O	3593.2	Semi standard non polar	33892256
Lysylhistidine,3TBDMS,isomer #13	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](CC1=CN=C[NH]1)C(=O)O	3340.6	Standard non polar	33892256
Lysylhistidine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3837.3	Semi standard non polar	33892256
Lysylhistidine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3418.9	Standard non polar	33892256
Lysylhistidine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3650.8	Semi standard non polar	33892256
Lysylhistidine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3359.9	Standard non polar	33892256
Lysylhistidine,3TBDMS,isomer #16	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](CC1=CN=C[NH]1)C(=O)O	3508.2	Semi standard non polar	33892256
Lysylhistidine,3TBDMS,isomer #16	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](CC1=CN=C[NH]1)C(=O)O	3314.0	Standard non polar	33892256
Lysylhistidine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N([C@@H](CCCCN)C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3730.9	Semi standard non polar	33892256
Lysylhistidine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N([C@@H](CCCCN)C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3401.1	Standard non polar	33892256
Lysylhistidine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3592.9	Semi standard non polar	33892256
Lysylhistidine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3332.9	Standard non polar	33892256
Lysylhistidine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)NC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3581.3	Semi standard non polar	33892256
Lysylhistidine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)NC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3265.6	Standard non polar	33892256
Lysylhistidine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3450.6	Semi standard non polar	33892256
Lysylhistidine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3217.0	Standard non polar	33892256
Lysylhistidine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3627.3	Semi standard non polar	33892256
Lysylhistidine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3286.9	Standard non polar	33892256
Lysylhistidine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3683.5	Semi standard non polar	33892256
Lysylhistidine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3286.7	Standard non polar	33892256
Lysylhistidine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3501.7	Semi standard non polar	33892256
Lysylhistidine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3242.9	Standard non polar	33892256
Lysylhistidine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3714.3	Semi standard non polar	33892256
Lysylhistidine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3295.5	Standard non polar	33892256
Lysylhistidine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C(C)(C)C	3558.8	Semi standard non polar	33892256
Lysylhistidine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C(C)(C)C	3275.9	Standard non polar	33892256
Lysylhistidine,3TBDMS,isomer #9	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](CC1=CN=C[NH]1)C(=O)O	3695.0	Semi standard non polar	33892256
Lysylhistidine,3TBDMS,isomer #9	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](CC1=CN=C[NH]1)C(=O)O	3405.2	Standard non polar	33892256
Lysylhistidine,4TBDMS,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](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3874.7	Semi standard non polar	33892256
Lysylhistidine,4TBDMS,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](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3480.4	Standard non polar	33892256
Lysylhistidine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3829.1	Semi standard non polar	33892256
Lysylhistidine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3498.7	Standard non polar	33892256
Lysylhistidine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(CCCC[C@@H](C(=O)N[C@@H](CC1=CN=C[NH]1)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	3980.7	Semi standard non polar	33892256
Lysylhistidine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(CCCC[C@@H](C(=O)N[C@@H](CC1=CN=C[NH]1)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	3587.1	Standard non polar	33892256
Lysylhistidine,4TBDMS,isomer #12	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](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C	3823.3	Semi standard non polar	33892256
Lysylhistidine,4TBDMS,isomer #12	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](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C	3516.0	Standard non polar	33892256
Lysylhistidine,4TBDMS,isomer #13	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](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O	4046.7	Semi standard non polar	33892256
Lysylhistidine,4TBDMS,isomer #13	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](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O	3623.0	Standard non polar	33892256
Lysylhistidine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC1=CN=C[NH]1)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	3822.2	Semi standard non polar	33892256
Lysylhistidine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC1=CN=C[NH]1)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	3519.0	Standard non polar	33892256
Lysylhistidine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=CN=CN1[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	4055.6	Semi standard non polar	33892256
Lysylhistidine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=CN=CN1[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	3619.6	Standard non polar	33892256
Lysylhistidine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3874.6	Semi standard non polar	33892256
Lysylhistidine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3555.7	Standard non polar	33892256
Lysylhistidine,4TBDMS,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](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O	3954.2	Semi standard non polar	33892256
Lysylhistidine,4TBDMS,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](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O	3584.0	Standard non polar	33892256
Lysylhistidine,4TBDMS,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](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O	3878.9	Semi standard non polar	33892256
Lysylhistidine,4TBDMS,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](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O	3568.3	Standard non polar	33892256
Lysylhistidine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=CN=C[NH]1)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	3877.0	Semi standard non polar	33892256
Lysylhistidine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=CN=C[NH]1)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	3481.0	Standard non polar	33892256
Lysylhistidine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3700.4	Semi standard non polar	33892256
Lysylhistidine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3428.4	Standard non polar	33892256
Lysylhistidine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3891.7	Semi standard non polar	33892256
Lysylhistidine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3513.7	Standard non polar	33892256
Lysylhistidine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)NC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3916.0	Semi standard non polar	33892256
Lysylhistidine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)NC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3517.0	Standard non polar	33892256
Lysylhistidine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)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	3735.3	Semi standard non polar	33892256
Lysylhistidine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)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	3443.7	Standard non polar	33892256
Lysylhistidine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3766.3	Semi standard non polar	33892256
Lysylhistidine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3478.1	Standard non polar	33892256
Lysylhistidine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4021.4	Semi standard non polar	33892256
Lysylhistidine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3534.3	Standard non polar	33892256
Lysylhistidine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)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	3801.3	Semi standard non polar	33892256
Lysylhistidine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)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	3456.2	Standard non polar	33892256
Lysylhistidine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)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	4164.2	Semi standard non polar	33892256
Lysylhistidine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)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	3660.6	Standard non polar	33892256
Lysylhistidine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(CCCC[C@@H](C(=O)N[C@@H](CC1=CN=CN1[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)[Si](C)(C)C(C)(C)C	4338.1	Semi standard non polar	33892256
Lysylhistidine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(CCCC[C@@H](C(=O)N[C@@H](CC1=CN=CN1[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)[Si](C)(C)C(C)(C)C	3818.1	Standard non polar	33892256
Lysylhistidine,5TBDMS,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](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4183.7	Semi standard non polar	33892256
Lysylhistidine,5TBDMS,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](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3762.0	Standard non polar	33892256
Lysylhistidine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC1=CN=CN1[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	4175.3	Semi standard non polar	33892256
Lysylhistidine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC1=CN=CN1[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	3769.5	Standard non polar	33892256
Lysylhistidine,5TBDMS,isomer #2	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](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4023.0	Semi standard non polar	33892256
Lysylhistidine,5TBDMS,isomer #2	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](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3621.1	Standard non polar	33892256
Lysylhistidine,5TBDMS,isomer #3	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](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4192.8	Semi standard non polar	33892256
Lysylhistidine,5TBDMS,isomer #3	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](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3719.1	Standard non polar	33892256
Lysylhistidine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC1=CN=C[NH]1)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	4022.5	Semi standard non polar	33892256
Lysylhistidine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC1=CN=C[NH]1)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	3627.2	Standard non polar	33892256
Lysylhistidine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=CN=CN1[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	4209.0	Semi standard non polar	33892256
Lysylhistidine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=CN=CN1[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	3721.0	Standard non polar	33892256
Lysylhistidine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4005.6	Semi standard non polar	33892256
Lysylhistidine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3676.9	Standard non polar	33892256
Lysylhistidine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[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	4080.4	Semi standard non polar	33892256
Lysylhistidine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[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	3700.4	Standard non polar	33892256
Lysylhistidine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[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	4151.9	Semi standard non polar	33892256
Lysylhistidine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[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	3714.2	Standard non polar	33892256
Lysylhistidine,5TBDMS,isomer #9	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](CC1=CN=C[NH]1)C(=O)O	4138.0	Semi standard non polar	33892256
Lysylhistidine,5TBDMS,isomer #9	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](CC1=CN=C[NH]1)C(=O)O	3711.6	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Lysylhistidine 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 - Lysylhistidine 10V, Positive-QTOF	splash10-001i-0090000000-3fd0ccb43c052a82840e	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lysylhistidine 20V, Positive-QTOF	splash10-01q0-8930000000-cf02870c3863261f9152	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lysylhistidine 40V, Positive-QTOF	splash10-0a59-9100000000-f81070c5601bbd33e34b	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lysylhistidine 10V, Negative-QTOF	splash10-001i-0090000000-b1910b6b55d8bcc490e5	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lysylhistidine 20V, Negative-QTOF	splash10-001i-5940000000-f71db50ecf55a706c194	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lysylhistidine 40V, Negative-QTOF	splash10-07vi-9600000000-809c127fc4fc67e64cb9	2021-09-25	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

FDB111976

KNApSAcK ID

Not Available

Chemspider ID

8032710

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

9857010

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for Lysylhistidine (HMDB0028953)

MOL for HMDB0028953 (Lysylhistidine)

3D MOL for HMDB0028953 (Lysylhistidine)

3D SDF for HMDB0028953 (Lysylhistidine)

3D-SDF for HMDB0028953 (Lysylhistidine)

PDB for HMDB0028953 (Lysylhistidine)

3D PDB for HMDB0028953 (Lysylhistidine)

SMILES for HMDB0028953 (Lysylhistidine)

INCHI for HMDB0028953 (Lysylhistidine)

Structure for HMDB0028953 (Lysylhistidine)

3D Structure for HMDB0028953 (Lysylhistidine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra