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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2021-09-24 12:21:42 UTC

Update Date

2021-09-24 12:21:42 UTC

HMDB ID

HMDB0304779

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Histidinyl-Asparagine

Description

2-{[2-amino-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino}-3-(C-hydroxycarbonimidoyl)propanoic acid 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. Based on a literature review very few articles have been published on 2-{[2-amino-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino}-3-(C-hydroxycarbonimidoyl)propanoic acid.

Structure

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

HMDB0304779
     RDKit          3D
Histidinyl-Asparagine
 34 34  0  0  0  0  0  0  0  0999 V2000
   -2.8493    1.1564   -0.5249 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6627    0.2506   -0.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0280    0.4411   -0.2135 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1433   -0.9918    0.4881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5911   -0.9792    0.4527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2186   -0.8822   -0.8820 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2560   -0.5096   -1.5711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4447   -0.6510   -2.9864 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0546    0.0529   -1.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1835    1.3061   -1.9680 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2782    0.2762    0.2386 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6577    0.8392    0.4962 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9813    2.1780    0.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2985    2.2583    0.7892 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8148    1.0362    0.9121 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7845    0.1701    0.7276 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2363   -2.3263    1.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6832   -3.1657    0.3155 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5120   -2.6281    2.3540 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1432    2.0558   -0.9542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4669    0.8465   -1.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4527   -1.8651   -0.1152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4730   -1.0881    1.5419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2735   -0.1689    1.1351 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2187   -1.1350   -3.5492 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9022   -0.5874   -1.5977 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8159    2.0815   -1.3747 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1741    1.5007   -2.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625   -0.5866    0.8832 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5662    1.0987    0.5406 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2901    2.9823    0.3851 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8568    0.8368    1.1183 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8963   -0.8603    0.7677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4016   -2.9420    2.7217 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
  5 17  1  0
 17 18  2  0
 17 19  1  0
 16 12  1  0
  1 20  1  0
  3 21  1  0
  4 22  1  0
  4 23  1  0
  5 24  1  0
  8 25  1  0
  9 26  1  0
 10 27  1  0
 10 28  1  0
 11 29  1  0
 11 30  1  0
 13 31  1  0
 15 32  1  0
 16 33  1  0
 19 34  1  0
M  END


  Mrv1652304032018442D          

 19 19  0  0  0  0            999 V2000
   -0.9836   -1.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1598   -3.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4517   -1.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5912    0.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6980   -0.9475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9836   -2.1850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4454   -3.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8743   -3.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2691   -2.5975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4454   -4.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6980   -2.5975    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5888   -3.4225    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0037   -0.6700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7843   -0.1270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2691   -3.4225    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8743   -4.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4454   -2.1850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1598   -5.0725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2691   -5.0725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  6  1  0  0  0  0
 12  8  2  0  0  0  0
 13  3  1  0  0  0  0
 13  4  2  0  0  0  0
 14  4  1  0  0  0  0
 14  5  1  0  0  0  0
 15  7  1  4  0  0  0
 15  9  2  0  0  0  0
 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
 18 10  2  0  0  0  0
 19 10  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0304779

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(CC1=CN=CN1)C(O)=NC(CC(O)=N)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C10H15N5O4/c11-6(1-5-3-13-4-14-5)9(17)15-7(10(18)19)2-8(12)16/h3-4,6-7H,1-2,11H2,(H2,12,16)(H,13,14)(H,15,17)(H,18,19)

> <INCHI_KEY>
WSDOHRLQDGAOGU-UHFFFAOYSA-N

> <FORMULA>
C10H15N5O4

> <MOLECULAR_WEIGHT>
269.2572

> <EXACT_MASS>
269.112403993

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
34

> <JCHEM_AVERAGE_POLARIZABILITY>
25.612010262382217

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-{[2-amino-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino}-3-(C-hydroxycarbonimidoyl)propanoic acid

> <ALOGPS_LOGP>
-3.00

> <JCHEM_LOGP>
-8.228308006320972

> <ALOGPS_LOGS>
-2.92

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
3.095444967304524

> <JCHEM_PKA_STRONGEST_ACIDIC>
-1.2297726419535868

> <JCHEM_PKA_STRONGEST_BASIC>
12.431508993912185

> <JCHEM_POLAR_SURFACE_AREA>
168.67

> <JCHEM_REFRACTIVITY>
74.67229999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.20e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-{[2-amino-1-hydroxy-3-(3H-imidazol-4-yl)propylidene]amino}-3-(C-hydroxycarbonimidoyl)propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0304779
     RDKit          3D
Histidinyl-Asparagine
 34 34  0  0  0  0  0  0  0  0999 V2000
   -2.8493    1.1564   -0.5249 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6627    0.2506   -0.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0280    0.4411   -0.2135 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1433   -0.9918    0.4881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5911   -0.9792    0.4527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2186   -0.8822   -0.8820 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2560   -0.5096   -1.5711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4447   -0.6510   -2.9864 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0546    0.0529   -1.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1835    1.3061   -1.9680 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2782    0.2762    0.2386 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6577    0.8392    0.4962 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9813    2.1780    0.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2985    2.2583    0.7892 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8148    1.0362    0.9121 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7845    0.1701    0.7276 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2363   -2.3263    1.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6832   -3.1657    0.3155 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5120   -2.6281    2.3540 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1432    2.0558   -0.9542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4669    0.8465   -1.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4527   -1.8651   -0.1152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4730   -1.0881    1.5419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2735   -0.1689    1.1351 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2187   -1.1350   -3.5492 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9022   -0.5874   -1.5977 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8159    2.0815   -1.3747 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1741    1.5007   -2.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625   -0.5866    0.8832 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5662    1.0987    0.5406 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2901    2.9823    0.3851 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8568    0.8368    1.1183 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8963   -0.8603    0.7677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4016   -2.9420    2.7217 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
  5 17  1  0
 17 18  2  0
 17 19  1  0
 16 12  1  0
  1 20  1  0
  3 21  1  0
  4 22  1  0
  4 23  1  0
  5 24  1  0
  8 25  1  0
  9 26  1  0
 10 27  1  0
 10 28  1  0
 11 29  1  0
 11 30  1  0
 13 31  1  0
 15 32  1  0
 16 33  1  0
 19 34  1  0
M  END

HEADER    PROTEIN                                 03-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-APR-20         0                                  
HETATM    1  C   UNK     0      -1.836  -2.539   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.165  -6.389   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.577  -2.395   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.837   0.083   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -3.170  -1.769   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.836  -4.079   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.831  -7.159   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.499  -7.159   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.502  -4.849   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.831  -8.699   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0      -3.170  -4.849   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0       4.832  -6.389   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0      -5.607  -1.251   0.000  0.00  0.00           N+0
HETATM   14  N   UNK     0      -3.331  -0.237   0.000  0.00  0.00           N+0
HETATM   15  N   UNK     0      -0.502  -6.389   0.000  0.00  0.00           N+0
HETATM   16  O   UNK     0       3.499  -8.699   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       0.831  -4.079   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       2.165  -9.469   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -0.502  -9.469   0.000  0.00  0.00           O+0
CONECT    1    5    6                                                       
CONECT    2    7    8                                                       
CONECT    3    5   13                                                       
CONECT    4   13   14                                                       
CONECT    5    1    3   14                                                  
CONECT    6    1    9   11                                                  
CONECT    7    2   10   15                                                  
CONECT    8    2   12   16                                                  
CONECT    9    6   15   17                                                  
CONECT   10    7   18   19                                                  
CONECT   11    6                                                            
CONECT   12    8                                                            
CONECT   13    3    4                                                       
CONECT   14    4    5                                                       
CONECT   15    7    9                                                       
CONECT   16    8                                                            
CONECT   17    9                                                            
CONECT   18   10                                                            
CONECT   19   10                                                            
MASTER        0    0    0    0    0    0    0    0   19    0   38    0
END

COMPND    HMDB0304779
HETATM    1  N1  UNL     1      -2.849   1.156  -0.525  1.00  0.00           N  
HETATM    2  C1  UNL     1      -3.663   0.251  -0.106  1.00  0.00           C  
HETATM    3  O1  UNL     1      -5.028   0.441  -0.213  1.00  0.00           O  
HETATM    4  C2  UNL     1      -3.143  -0.992   0.488  1.00  0.00           C  
HETATM    5  C3  UNL     1      -1.591  -0.979   0.453  1.00  0.00           C  
HETATM    6  N2  UNL     1      -1.219  -0.882  -0.882  1.00  0.00           N  
HETATM    7  C4  UNL     1      -0.256  -0.510  -1.571  1.00  0.00           C  
HETATM    8  O2  UNL     1      -0.445  -0.651  -2.986  1.00  0.00           O  
HETATM    9  C5  UNL     1       1.055   0.053  -1.217  1.00  0.00           C  
HETATM   10  N3  UNL     1       1.184   1.306  -1.968  1.00  0.00           N  
HETATM   11  C6  UNL     1       1.278   0.276   0.239  1.00  0.00           C  
HETATM   12  C7  UNL     1       2.658   0.839   0.496  1.00  0.00           C  
HETATM   13  C8  UNL     1       2.981   2.178   0.535  1.00  0.00           C  
HETATM   14  N4  UNL     1       4.299   2.258   0.789  1.00  0.00           N  
HETATM   15  C9  UNL     1       4.815   1.036   0.912  1.00  0.00           C  
HETATM   16  N5  UNL     1       3.785   0.170   0.728  1.00  0.00           N  
HETATM   17  C10 UNL     1      -1.236  -2.326   1.046  1.00  0.00           C  
HETATM   18  O3  UNL     1      -0.683  -3.166   0.316  1.00  0.00           O  
HETATM   19  O4  UNL     1      -1.512  -2.628   2.354  1.00  0.00           O  
HETATM   20  H1  UNL     1      -3.143   2.056  -0.954  1.00  0.00           H  
HETATM   21  H2  UNL     1      -5.467   0.847  -1.036  1.00  0.00           H  
HETATM   22  H3  UNL     1      -3.453  -1.865  -0.115  1.00  0.00           H  
HETATM   23  H4  UNL     1      -3.473  -1.088   1.542  1.00  0.00           H  
HETATM   24  H5  UNL     1      -1.273  -0.169   1.135  1.00  0.00           H  
HETATM   25  H6  UNL     1       0.219  -1.135  -3.549  1.00  0.00           H  
HETATM   26  H7  UNL     1       1.902  -0.587  -1.598  1.00  0.00           H  
HETATM   27  H8  UNL     1       0.816   2.082  -1.375  1.00  0.00           H  
HETATM   28  H9  UNL     1       2.174   1.501  -2.231  1.00  0.00           H  
HETATM   29  H10 UNL     1       1.062  -0.587   0.883  1.00  0.00           H  
HETATM   30  H11 UNL     1       0.566   1.099   0.541  1.00  0.00           H  
HETATM   31  H12 UNL     1       2.290   2.982   0.385  1.00  0.00           H  
HETATM   32  H13 UNL     1       5.857   0.837   1.118  1.00  0.00           H  
HETATM   33  H14 UNL     1       3.896  -0.860   0.768  1.00  0.00           H  
HETATM   34  H15 UNL     1      -2.402  -2.942   2.722  1.00  0.00           H  
CONECT    1    2    2   20
CONECT    2    3    4
CONECT    3   21
CONECT    4    5   22   23
CONECT    5    6   17   24
CONECT    6    7    7
CONECT    7    8    9
CONECT    8   25
CONECT    9   10   11   26
CONECT   10   27   28
CONECT   11   12   29   30
CONECT   12   13   13   16
CONECT   13   14   31
CONECT   14   15   15
CONECT   15   16   32
CONECT   16   33
CONECT   17   18   18   19
CONECT   19   34
END

HMDB0304779
     RDKit          3D
Histidinyl-Asparagine
 34 34  0  0  0  0  0  0  0  0999 V2000
   -2.8493    1.1564   -0.5249 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6627    0.2506   -0.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0280    0.4411   -0.2135 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1433   -0.9918    0.4881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5911   -0.9792    0.4527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2186   -0.8822   -0.8820 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2560   -0.5096   -1.5711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4447   -0.6510   -2.9864 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0546    0.0529   -1.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1835    1.3061   -1.9680 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2782    0.2762    0.2386 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6577    0.8392    0.4962 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9813    2.1780    0.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2985    2.2583    0.7892 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8148    1.0362    0.9121 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7845    0.1701    0.7276 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2363   -2.3263    1.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6832   -3.1657    0.3155 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5120   -2.6281    2.3540 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1432    2.0558   -0.9542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4669    0.8465   -1.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4527   -1.8651   -0.1152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4730   -1.0881    1.5419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2735   -0.1689    1.1351 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2187   -1.1350   -3.5492 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9022   -0.5874   -1.5977 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8159    2.0815   -1.3747 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1741    1.5007   -2.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625   -0.5866    0.8832 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5662    1.0987    0.5406 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2901    2.9823    0.3851 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8568    0.8368    1.1183 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8963   -0.8603    0.7677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4016   -2.9420    2.7217 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
  5 17  1  0
 17 18  2  0
 17 19  1  0
 16 12  1  0
  1 20  1  0
  3 21  1  0
  4 22  1  0
  4 23  1  0
  5 24  1  0
  8 25  1  0
  9 26  1  0
 10 27  1  0
 10 28  1  0
 11 29  1  0
 11 30  1  0
 13 31  1  0
 15 32  1  0
 16 33  1  0
 19 34  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
2-{[2-amino-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino}-3-(C-hydroxycarbonimidoyl)propanoate	Generator
H-N Dipeptide	HMDB
His-asn	HMDB
Histidine asparagine dipeptide	HMDB
Histidine-asparagine dipeptide	HMDB
Histidinylasparagine	HMDB
HN Dipeptide	HMDB
L-Histidinyl-L-asparagine	HMDB

Chemical Formula

C₁₀H₁₅N₅O₄

Average Molecular Weight

269.2572

Monoisotopic Molecular Weight

269.112403993

IUPAC Name

2-{[2-amino-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino}-3-(C-hydroxycarbonimidoyl)propanoic acid

Traditional Name

2-{[2-amino-1-hydroxy-3-(3H-imidazol-4-yl)propylidene]amino}-3-(C-hydroxycarbonimidoyl)propanoic acid

CAS Registry Number

Not Available

SMILES

NC(CC1=CN=CN1)C(O)=NC(CC(O)=N)C(O)=O

InChI Identifier

InChI=1S/C10H15N5O4/c11-6(1-5-3-13-4-14-5)9(17)15-7(10(18)19)2-8(12)16/h3-4,6-7H,1-2,11H2,(H2,12,16)(H,13,14)(H,15,17)(H,18,19)

InChI Key

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

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Exogenous (HMDB: HMDB0304779)

Food

Milk and milk product

Unfermented milk

Milk (Cow) (FooDB: FOOD00618)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-3	ALOGPS
logP	-8.2	ChemAxon
logS	-2.9	ALOGPS
pKa (Strongest Acidic)	-1.2	ChemAxon
pKa (Strongest Basic)	12.43	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	168.67 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	74.67 m³·mol⁻¹	ChemAxon
Polarizability	25.61 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	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
AllCCS	[M+H]+	159.934	32859911
AllCCS	[M+H-H2O]+	156.691	32859911
AllCCS	[M+Na]+	163.8	32859911
AllCCS	[M+NH4]+	162.938	32859911
AllCCS	[M-H]-	158.959	32859911
AllCCS	[M+Na-2H]-	159.09	32859911
AllCCS	[M+HCOO]-	159.341	32859911
DeepCCS	[M+H]+	157.438	30932474
DeepCCS	[M-H]-	155.08	30932474
DeepCCS	[M-2H]-	187.966	30932474
DeepCCS	[M+Na]+	163.531	30932474

Predicted Kovats Retention Indices

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Histidinyl-Asparagine,4TMS,isomer #1	C[Si](C)(C)NC(CC1=CN=C[NH]1)C(=NC(CC(=N)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2764.9	Semi standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #1	C[Si](C)(C)NC(CC1=CN=C[NH]1)C(=NC(CC(=N)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2455.0	Standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #1	C[Si](C)(C)NC(CC1=CN=C[NH]1)C(=NC(CC(=N)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	3680.4	Standard polar	33892256
Histidinyl-Asparagine,4TMS,isomer #10	C[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C)C(CC1=CN=C[NH]1)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2791.9	Semi standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #10	C[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C)C(CC1=CN=C[NH]1)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2478.5	Standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #10	C[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C)C(CC1=CN=C[NH]1)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3766.3	Standard polar	33892256
Histidinyl-Asparagine,4TMS,isomer #11	C[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C)C(N)CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2831.1	Semi standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #11	C[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C)C(N)CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2540.1	Standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #11	C[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C)C(N)CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	4328.4	Standard polar	33892256
Histidinyl-Asparagine,4TMS,isomer #12	C[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2953.7	Semi standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #12	C[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2622.3	Standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #12	C[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3940.7	Standard polar	33892256
Histidinyl-Asparagine,4TMS,isomer #13	C[Si](C)(C)OC(=NC(CC(=N)O)C(=O)O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3044.0	Semi standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #13	C[Si](C)(C)OC(=NC(CC(=N)O)C(=O)O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2682.0	Standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #13	C[Si](C)(C)OC(=NC(CC(=N)O)C(=O)O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3901.0	Standard polar	33892256
Histidinyl-Asparagine,4TMS,isomer #14	C[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C)C(CC1=CN=CN1[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2897.6	Semi standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #14	C[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C)C(CC1=CN=CN1[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2591.0	Standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #14	C[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C)C(CC1=CN=CN1[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	3950.4	Standard polar	33892256
Histidinyl-Asparagine,4TMS,isomer #15	C[Si](C)(C)OC(=N)CC(N=C(O)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2925.2	Semi standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #15	C[Si](C)(C)OC(=N)CC(N=C(O)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2617.8	Standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #15	C[Si](C)(C)OC(=N)CC(N=C(O)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3862.4	Standard polar	33892256
Histidinyl-Asparagine,4TMS,isomer #16	C[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C)C(O)=NC(CC(=N)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2876.6	Semi standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #16	C[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C)C(O)=NC(CC(=N)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2575.7	Standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #16	C[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C)C(O)=NC(CC(=N)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3899.8	Standard polar	33892256
Histidinyl-Asparagine,4TMS,isomer #17	C[Si](C)(C)N=C(CC(N=C(O)C(CC1=CN=C[NH]1)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2753.0	Semi standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #17	C[Si](C)(C)N=C(CC(N=C(O)C(CC1=CN=C[NH]1)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2517.0	Standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #17	C[Si](C)(C)N=C(CC(N=C(O)C(CC1=CN=C[NH]1)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	3787.7	Standard polar	33892256
Histidinyl-Asparagine,4TMS,isomer #18	C[Si](C)(C)N=C(CC(N=C(O)C(N)CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2781.7	Semi standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #18	C[Si](C)(C)N=C(CC(N=C(O)C(N)CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2578.1	Standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #18	C[Si](C)(C)N=C(CC(N=C(O)C(N)CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	4332.5	Standard polar	33892256
Histidinyl-Asparagine,4TMS,isomer #19	C[Si](C)(C)N=C(CC(N=C(O)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2902.2	Semi standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #19	C[Si](C)(C)N=C(CC(N=C(O)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2675.6	Standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #19	C[Si](C)(C)N=C(CC(N=C(O)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	3904.6	Standard polar	33892256
Histidinyl-Asparagine,4TMS,isomer #2	C[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C)C(N)CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2651.3	Semi standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #2	C[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C)C(N)CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2415.6	Standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #2	C[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C)C(N)CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	4246.8	Standard polar	33892256
Histidinyl-Asparagine,4TMS,isomer #20	C[Si](C)(C)OC(=N)CC(N=C(O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3050.0	Semi standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #20	C[Si](C)(C)OC(=N)CC(N=C(O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2742.8	Standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #20	C[Si](C)(C)OC(=N)CC(N=C(O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4020.6	Standard polar	33892256
Histidinyl-Asparagine,4TMS,isomer #21	C[Si](C)(C)N=C(CC(N=C(O)C(CC1=CN=CN1[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2857.4	Semi standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #21	C[Si](C)(C)N=C(CC(N=C(O)C(CC1=CN=CN1[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2638.4	Standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #21	C[Si](C)(C)N=C(CC(N=C(O)C(CC1=CN=CN1[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	3936.6	Standard polar	33892256
Histidinyl-Asparagine,4TMS,isomer #22	C[Si](C)(C)N=C(O)CC(N=C(O)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2980.8	Semi standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #22	C[Si](C)(C)N=C(O)CC(N=C(O)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2646.2	Standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #22	C[Si](C)(C)N=C(O)CC(N=C(O)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3912.0	Standard polar	33892256
Histidinyl-Asparagine,4TMS,isomer #23	C[Si](C)(C)OC(=O)C(CC(=N)O)N=C(O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3047.5	Semi standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #23	C[Si](C)(C)OC(=O)C(CC(=N)O)N=C(O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2707.0	Standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #23	C[Si](C)(C)OC(=O)C(CC(=N)O)N=C(O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3883.5	Standard polar	33892256
Histidinyl-Asparagine,4TMS,isomer #24	C[Si](C)(C)N=C(O)CC(N=C(O)C(CC1=CN=CN1[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2923.3	Semi standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #24	C[Si](C)(C)N=C(O)CC(N=C(O)C(CC1=CN=CN1[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2604.2	Standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #24	C[Si](C)(C)N=C(O)CC(N=C(O)C(CC1=CN=CN1[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3951.3	Standard polar	33892256
Histidinyl-Asparagine,4TMS,isomer #25	C[Si](C)(C)N=C(O)CC(N=C(O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3084.7	Semi standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #25	C[Si](C)(C)N=C(O)CC(N=C(O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2796.7	Standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #25	C[Si](C)(C)N=C(O)CC(N=C(O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4058.2	Standard polar	33892256
Histidinyl-Asparagine,4TMS,isomer #3	C[Si](C)(C)OC(=N)CC(N=C(O[Si](C)(C)C)C(N)CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2790.6	Semi standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #3	C[Si](C)(C)OC(=N)CC(N=C(O[Si](C)(C)C)C(N)CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2524.3	Standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #3	C[Si](C)(C)OC(=N)CC(N=C(O[Si](C)(C)C)C(N)CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	4352.9	Standard polar	33892256
Histidinyl-Asparagine,4TMS,isomer #4	C[Si](C)(C)OC(=N)CC(N=C(O[Si](C)(C)C)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2917.8	Semi standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #4	C[Si](C)(C)OC(=N)CC(N=C(O[Si](C)(C)C)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2581.2	Standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #4	C[Si](C)(C)OC(=N)CC(N=C(O[Si](C)(C)C)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3887.3	Standard polar	33892256
Histidinyl-Asparagine,4TMS,isomer #5	C[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C)C(=NC(CC(=N)O[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2866.7	Semi standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #5	C[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C)C(=NC(CC(=N)O[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2561.5	Standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #5	C[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C)C(=NC(CC(=N)O[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	3892.1	Standard polar	33892256
Histidinyl-Asparagine,4TMS,isomer #6	C[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C)C(CC1=CN=C[NH]1)N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2731.7	Semi standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #6	C[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C)C(CC1=CN=C[NH]1)N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2495.9	Standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #6	C[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C)C(CC1=CN=C[NH]1)N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	3788.8	Standard polar	33892256
Histidinyl-Asparagine,4TMS,isomer #7	C[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C)C(N)CC1=CN=CN1[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2802.5	Semi standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #7	C[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C)C(N)CC1=CN=CN1[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2521.8	Standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #7	C[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C)C(N)CC1=CN=CN1[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	4257.7	Standard polar	33892256
Histidinyl-Asparagine,4TMS,isomer #8	C[Si](C)(C)OC(=O)C(CC(=N)O)N=C(O[Si](C)(C)C)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C	2877.0	Semi standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #8	C[Si](C)(C)OC(=O)C(CC(=N)O)N=C(O[Si](C)(C)C)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C	2577.2	Standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #8	C[Si](C)(C)OC(=O)C(CC(=N)O)N=C(O[Si](C)(C)C)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C	3687.5	Standard polar	33892256
Histidinyl-Asparagine,4TMS,isomer #9	C[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C)C(=NC(CC(=N)O)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2830.0	Semi standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #9	C[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C)C(=NC(CC(=N)O)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2556.7	Standard non polar	33892256
Histidinyl-Asparagine,4TMS,isomer #9	C[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C)C(=NC(CC(=N)O)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	3716.3	Standard polar	33892256
Histidinyl-Asparagine,5TMS,isomer #1	C[Si](C)(C)OC(=N)CC(N=C(O[Si](C)(C)C)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2831.0	Semi standard non polar	33892256
Histidinyl-Asparagine,5TMS,isomer #1	C[Si](C)(C)OC(=N)CC(N=C(O[Si](C)(C)C)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2573.8	Standard non polar	33892256
Histidinyl-Asparagine,5TMS,isomer #1	C[Si](C)(C)OC(=N)CC(N=C(O[Si](C)(C)C)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3395.9	Standard polar	33892256
Histidinyl-Asparagine,5TMS,isomer #10	C[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C)C(CC1=CN=CN1[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2844.5	Semi standard non polar	33892256
Histidinyl-Asparagine,5TMS,isomer #10	C[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C)C(CC1=CN=CN1[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2572.0	Standard non polar	33892256
Histidinyl-Asparagine,5TMS,isomer #10	C[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C)C(CC1=CN=CN1[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3609.7	Standard polar	33892256
Histidinyl-Asparagine,5TMS,isomer #11	C[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3042.9	Semi standard non polar	33892256
Histidinyl-Asparagine,5TMS,isomer #11	C[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2716.7	Standard non polar	33892256
Histidinyl-Asparagine,5TMS,isomer #11	C[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3789.1	Standard polar	33892256
Histidinyl-Asparagine,5TMS,isomer #12	C[Si](C)(C)N=C(CC(N=C(O)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2823.3	Semi standard non polar	33892256
Histidinyl-Asparagine,5TMS,isomer #12	C[Si](C)(C)N=C(CC(N=C(O)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2630.5	Standard non polar	33892256
Histidinyl-Asparagine,5TMS,isomer #12	C[Si](C)(C)N=C(CC(N=C(O)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	3567.4	Standard polar	33892256
Histidinyl-Asparagine,5TMS,isomer #13	C[Si](C)(C)OC(=N)CC(N=C(O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2994.6	Semi standard non polar	33892256
Histidinyl-Asparagine,5TMS,isomer #13	C[Si](C)(C)OC(=N)CC(N=C(O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2729.8	Standard non polar	33892256
Histidinyl-Asparagine,5TMS,isomer #13	C[Si](C)(C)OC(=N)CC(N=C(O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3702.9	Standard polar	33892256
Histidinyl-Asparagine,5TMS,isomer #14	C[Si](C)(C)N=C(CC(N=C(O)C(CC1=CN=CN1[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2808.1	Semi standard non polar	33892256
Histidinyl-Asparagine,5TMS,isomer #14	C[Si](C)(C)N=C(CC(N=C(O)C(CC1=CN=CN1[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2597.2	Standard non polar	33892256
Histidinyl-Asparagine,5TMS,isomer #14	C[Si](C)(C)N=C(CC(N=C(O)C(CC1=CN=CN1[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	3624.6	Standard polar	33892256
Histidinyl-Asparagine,5TMS,isomer #15	C[Si](C)(C)N=C(CC(N=C(O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2994.3	Semi standard non polar	33892256
Histidinyl-Asparagine,5TMS,isomer #15	C[Si](C)(C)N=C(CC(N=C(O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2761.4	Standard non polar	33892256
Histidinyl-Asparagine,5TMS,isomer #15	C[Si](C)(C)N=C(CC(N=C(O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	3744.8	Standard polar	33892256
Histidinyl-Asparagine,5TMS,isomer #16	C[Si](C)(C)N=C(O)CC(N=C(O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3054.7	Semi standard non polar	33892256
Histidinyl-Asparagine,5TMS,isomer #16	C[Si](C)(C)N=C(O)CC(N=C(O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2754.6	Standard non polar	33892256
Histidinyl-Asparagine,5TMS,isomer #16	C[Si](C)(C)N=C(O)CC(N=C(O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3781.3	Standard polar	33892256
Histidinyl-Asparagine,5TMS,isomer #2	C[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C)C(=NC(CC(=N)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2790.7	Semi standard non polar	33892256
Histidinyl-Asparagine,5TMS,isomer #2	C[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C)C(=NC(CC(=N)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2563.1	Standard non polar	33892256
Histidinyl-Asparagine,5TMS,isomer #2	C[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C)C(=NC(CC(=N)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	3505.6	Standard polar	33892256
Histidinyl-Asparagine,5TMS,isomer #3	C[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C)C(CC1=CN=C[NH]1)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2682.5	Semi standard non polar	33892256
Histidinyl-Asparagine,5TMS,isomer #3	C[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C)C(CC1=CN=C[NH]1)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2472.7	Standard non polar	33892256
Histidinyl-Asparagine,5TMS,isomer #3	C[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C)C(CC1=CN=C[NH]1)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	3320.0	Standard polar	33892256
Histidinyl-Asparagine,5TMS,isomer #4	C[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C)C(N)CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2705.4	Semi standard non polar	33892256
Histidinyl-Asparagine,5TMS,isomer #4	C[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C)C(N)CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2511.7	Standard non polar	33892256
Histidinyl-Asparagine,5TMS,isomer #4	C[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C)C(N)CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	4088.5	Standard polar	33892256
Histidinyl-Asparagine,5TMS,isomer #5	C[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2830.2	Semi standard non polar	33892256
Histidinyl-Asparagine,5TMS,isomer #5	C[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2594.0	Standard non polar	33892256
Histidinyl-Asparagine,5TMS,isomer #5	C[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	3566.5	Standard polar	33892256
Histidinyl-Asparagine,5TMS,isomer #6	C[Si](C)(C)OC(=N)CC(N=C(O[Si](C)(C)C)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2999.2	Semi standard non polar	33892256
Histidinyl-Asparagine,5TMS,isomer #6	C[Si](C)(C)OC(=N)CC(N=C(O[Si](C)(C)C)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2691.2	Standard non polar	33892256
Histidinyl-Asparagine,5TMS,isomer #6	C[Si](C)(C)OC(=N)CC(N=C(O[Si](C)(C)C)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3708.7	Standard polar	33892256
Histidinyl-Asparagine,5TMS,isomer #7	C[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C)C(CC1=CN=CN1[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2783.9	Semi standard non polar	33892256
Histidinyl-Asparagine,5TMS,isomer #7	C[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C)C(CC1=CN=CN1[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2566.6	Standard non polar	33892256
Histidinyl-Asparagine,5TMS,isomer #7	C[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C)C(CC1=CN=CN1[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	3606.3	Standard polar	33892256
Histidinyl-Asparagine,5TMS,isomer #8	C[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2885.9	Semi standard non polar	33892256
Histidinyl-Asparagine,5TMS,isomer #8	C[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2595.2	Standard non polar	33892256
Histidinyl-Asparagine,5TMS,isomer #8	C[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3558.6	Standard polar	33892256
Histidinyl-Asparagine,5TMS,isomer #9	C[Si](C)(C)OC(=O)C(CC(=N)O)N=C(O[Si](C)(C)C)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2945.9	Semi standard non polar	33892256
Histidinyl-Asparagine,5TMS,isomer #9	C[Si](C)(C)OC(=O)C(CC(=N)O)N=C(O[Si](C)(C)C)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2707.7	Standard non polar	33892256
Histidinyl-Asparagine,5TMS,isomer #9	C[Si](C)(C)OC(=O)C(CC(=N)O)N=C(O[Si](C)(C)C)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3521.1	Standard polar	33892256
Histidinyl-Asparagine,6TMS,isomer #1	C[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2800.8	Semi standard non polar	33892256
Histidinyl-Asparagine,6TMS,isomer #1	C[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2585.5	Standard non polar	33892256
Histidinyl-Asparagine,6TMS,isomer #1	C[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C)C(CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	3109.6	Standard polar	33892256
Histidinyl-Asparagine,6TMS,isomer #2	C[Si](C)(C)OC(=N)CC(N=C(O[Si](C)(C)C)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2930.0	Semi standard non polar	33892256
Histidinyl-Asparagine,6TMS,isomer #2	C[Si](C)(C)OC(=N)CC(N=C(O[Si](C)(C)C)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2706.1	Standard non polar	33892256
Histidinyl-Asparagine,6TMS,isomer #2	C[Si](C)(C)OC(=N)CC(N=C(O[Si](C)(C)C)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3321.8	Standard polar	33892256
Histidinyl-Asparagine,6TMS,isomer #3	C[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C)C(CC1=CN=CN1[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2754.1	Semi standard non polar	33892256
Histidinyl-Asparagine,6TMS,isomer #3	C[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C)C(CC1=CN=CN1[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2581.1	Standard non polar	33892256
Histidinyl-Asparagine,6TMS,isomer #3	C[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C)C(CC1=CN=CN1[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	3246.5	Standard polar	33892256
Histidinyl-Asparagine,6TMS,isomer #4	C[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2959.2	Semi standard non polar	33892256
Histidinyl-Asparagine,6TMS,isomer #4	C[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2692.6	Standard non polar	33892256
Histidinyl-Asparagine,6TMS,isomer #4	C[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	3459.0	Standard polar	33892256
Histidinyl-Asparagine,6TMS,isomer #5	C[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2997.1	Semi standard non polar	33892256
Histidinyl-Asparagine,6TMS,isomer #5	C[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2709.5	Standard non polar	33892256
Histidinyl-Asparagine,6TMS,isomer #5	C[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3465.8	Standard polar	33892256
Histidinyl-Asparagine,6TMS,isomer #6	C[Si](C)(C)N=C(CC(N=C(O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2952.2	Semi standard non polar	33892256
Histidinyl-Asparagine,6TMS,isomer #6	C[Si](C)(C)N=C(CC(N=C(O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2742.9	Standard non polar	33892256
Histidinyl-Asparagine,6TMS,isomer #6	C[Si](C)(C)N=C(CC(N=C(O)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	3473.8	Standard polar	33892256
Histidinyl-Asparagine,7TMS,isomer #1	C[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2919.2	Semi standard non polar	33892256
Histidinyl-Asparagine,7TMS,isomer #1	C[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2714.4	Standard non polar	33892256
Histidinyl-Asparagine,7TMS,isomer #1	C[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C)C(CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	3114.9	Standard polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC1=CN=C[NH]1)C(=NC(CC(=N)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3575.3	Semi standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC1=CN=C[NH]1)C(=NC(CC(=N)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3103.3	Standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC1=CN=C[NH]1)C(=NC(CC(=N)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3741.9	Standard polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=C[NH]1)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3536.6	Semi standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=C[NH]1)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3067.9	Standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=C[NH]1)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3846.6	Standard polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C(C)(C)C)C(N)CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3624.4	Semi standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C(C)(C)C)C(N)CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3164.1	Standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C(C)(C)C)C(N)CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4345.3	Standard polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3722.4	Semi standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3179.4	Standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3978.0	Standard polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=NC(CC(=N)O)C(=O)O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3847.6	Semi standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=NC(CC(=N)O)C(=O)O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3364.0	Standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=NC(CC(=N)O)C(=O)O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3943.7	Standard polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3641.4	Semi standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3172.8	Standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	4009.4	Standard polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=N)CC(N=C(O)C(CC1=CN=C[NH]1)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	3726.4	Semi standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=N)CC(N=C(O)C(CC1=CN=C[NH]1)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	3285.2	Standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=N)CC(N=C(O)C(CC1=CN=C[NH]1)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	3909.2	Standard polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(O)=NC(CC(=N)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3666.7	Semi standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(O)=NC(CC(=N)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3287.0	Standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(O)=NC(CC(=N)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3960.3	Standard polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N=C(CC(N=C(O)C(CC1=CN=C[NH]1)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3541.2	Semi standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N=C(CC(N=C(O)C(CC1=CN=C[NH]1)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3127.5	Standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N=C(CC(N=C(O)C(CC1=CN=C[NH]1)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3869.2	Standard polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(CC(N=C(O)C(N)CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3613.9	Semi standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(CC(N=C(O)C(N)CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3221.8	Standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(CC(N=C(O)C(N)CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4335.6	Standard polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N=C(CC(N=C(O)C(CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3706.5	Semi standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N=C(CC(N=C(O)C(CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3235.5	Standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N=C(CC(N=C(O)C(CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3953.0	Standard polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C(C)(C)C)C(N)CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3510.4	Semi standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C(C)(C)C)C(N)CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3006.8	Standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C(C)(C)C)C(N)CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4233.1	Standard polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC(=N)CC(N=C(O)C(CC1=CN=CN1[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	3859.0	Semi standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC(=N)CC(N=C(O)C(CC1=CN=CN1[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	3412.4	Standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC(=N)CC(N=C(O)C(CC1=CN=CN1[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	4041.8	Standard polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N=C(CC(N=C(O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3646.8	Semi standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N=C(CC(N=C(O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3234.3	Standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N=C(CC(N=C(O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3995.2	Standard polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C(O)CC(N=C(O)C(CC1=CN=C[NH]1)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	3718.9	Semi standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C(O)CC(N=C(O)C(CC1=CN=C[NH]1)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	3281.5	Standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C(O)CC(N=C(O)C(CC1=CN=C[NH]1)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	3991.8	Standard polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=N)O)N=C(O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3830.2	Semi standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=N)O)N=C(O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3445.8	Standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=N)O)N=C(O)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3959.1	Standard polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C(O)CC(N=C(O)C(CC1=CN=CN1[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	3671.9	Semi standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C(O)CC(N=C(O)C(CC1=CN=CN1[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	3276.8	Standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C(O)CC(N=C(O)C(CC1=CN=CN1[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	4040.9	Standard polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C(O)CC(N=C(O)C(CC1=CN=CN1[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	3840.5	Semi standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C(O)CC(N=C(O)C(CC1=CN=CN1[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	3411.7	Standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C(O)CC(N=C(O)C(CC1=CN=CN1[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	4123.4	Standard polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=N)CC(N=C(O[Si](C)(C)C(C)(C)C)C(N)CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3657.4	Semi standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=N)CC(N=C(O[Si](C)(C)C(C)(C)C)C(N)CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3198.2	Standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=N)CC(N=C(O[Si](C)(C)C(C)(C)C)C(N)CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4301.0	Standard polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=N)CC(N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3741.7	Semi standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=N)CC(N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3207.7	Standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=N)CC(N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3887.1	Standard polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=NC(CC(=N)O[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3678.7	Semi standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=NC(CC(=N)O[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3208.8	Standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=NC(CC(=N)O[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3923.9	Standard polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=C[NH]1)N[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3539.8	Semi standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=C[NH]1)N[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3027.6	Standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=C[NH]1)N[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3840.9	Standard polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C(C)(C)C)C(N)CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3639.4	Semi standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C(C)(C)C)C(N)CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3100.6	Standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C(C)(C)C)C(N)CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	4238.9	Standard polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=N)O)N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3687.8	Semi standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=N)O)N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3250.6	Standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=N)O)N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3745.9	Standard polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=NC(CC(=N)O)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3629.6	Semi standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=NC(CC(=N)O)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3246.3	Standard non polar	33892256
Histidinyl-Asparagine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=NC(CC(=N)O)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3808.0	Standard polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=N)CC(N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=C[NH]1)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	3874.0	Semi standard non polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=N)CC(N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=C[NH]1)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	3337.0	Standard non polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=N)CC(N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=C[NH]1)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	3572.4	Standard polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=CN1[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	3756.1	Semi standard non polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=CN1[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	3312.2	Standard non polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=CN1[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	3801.0	Standard polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=CN1[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	3997.6	Semi standard non polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=CN1[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	3423.9	Standard non polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=CN1[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	3931.3	Standard polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C(CC(N=C(O)C(CC1=CN=C[NH]1)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)O[Si](C)(C)C(C)(C)C	3858.6	Semi standard non polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C(CC(N=C(O)C(CC1=CN=C[NH]1)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)O[Si](C)(C)C(C)(C)C	3352.8	Standard non polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C(CC(N=C(O)C(CC1=CN=C[NH]1)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)O[Si](C)(C)C(C)(C)C	3734.5	Standard polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=N)CC(N=C(O)C(CC1=CN=CN1[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	4002.5	Semi standard non polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=N)CC(N=C(O)C(CC1=CN=CN1[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	3555.8	Standard non polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=N)CC(N=C(O)C(CC1=CN=CN1[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	3847.5	Standard polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(CC(N=C(O)C(CC1=CN=CN1[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)O[Si](C)(C)C(C)(C)C	3774.3	Semi standard non polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(CC(N=C(O)C(CC1=CN=CN1[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)O[Si](C)(C)C(C)(C)C	3372.5	Standard non polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(CC(N=C(O)C(CC1=CN=CN1[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)O[Si](C)(C)C(C)(C)C	3833.3	Standard polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C(CC(N=C(O)C(CC1=CN=CN1[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)O[Si](C)(C)C(C)(C)C	3990.0	Semi standard non polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C(CC(N=C(O)C(CC1=CN=CN1[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)O[Si](C)(C)C(C)(C)C	3481.6	Standard non polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C(CC(N=C(O)C(CC1=CN=CN1[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)O[Si](C)(C)C(C)(C)C	3909.8	Standard polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(O)CC(N=C(O)C(CC1=CN=CN1[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	4000.9	Semi standard non polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(O)CC(N=C(O)C(CC1=CN=CN1[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	3545.0	Standard non polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(O)CC(N=C(O)C(CC1=CN=CN1[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	3962.6	Standard polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=NC(CC(=N)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3790.1	Semi standard non polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=NC(CC(=N)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3360.2	Standard non polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=NC(CC(=N)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3687.3	Standard polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=C[NH]1)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3622.8	Semi standard non polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=C[NH]1)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3151.7	Standard non polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=C[NH]1)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3562.8	Standard polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C(C)(C)C)C(N)CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3748.7	Semi standard non polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C(C)(C)C)C(N)CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3244.1	Standard non polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C(C)(C)C)C(N)CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4182.7	Standard polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3878.6	Semi standard non polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3239.2	Standard non polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3700.4	Standard polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=N)CC(N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=CN1[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	4021.5	Semi standard non polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=N)CC(N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=CN1[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	3467.1	Standard non polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=N)CC(N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=CN1[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	3810.9	Standard polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3772.5	Semi standard non polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3252.5	Standard non polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(CC(N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3787.7	Standard polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=C[NH]1)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	3873.6	Semi standard non polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=C[NH]1)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	3298.3	Standard non polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(O)CC(N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=C[NH]1)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	3700.6	Standard polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=N)O)N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3961.0	Semi standard non polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=N)O)N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3523.5	Standard non polar	33892256
Histidinyl-Asparagine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=N)O)N=C(O[Si](C)(C)C(C)(C)C)C(CC1=CN=CN1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3692.2	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Histidinyl-Asparagine GC-MS (Non-derivatized) - 70eV, Positive	splash10-01qc-9530000000-341541f6df616b54fd2b	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Histidinyl-Asparagine GC-MS (1 TMS) - 70eV, Positive	splash10-000x-9752000000-3f543134f0956006372a	2017-10-06	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 - Histidinyl-Asparagine 10V, Positive-QTOF	splash10-0uki-0390000000-d538a577da167e287398	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Histidinyl-Asparagine 20V, Positive-QTOF	splash10-03du-8950000000-853fddc994d73fb5fa07	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Histidinyl-Asparagine 40V, Positive-QTOF	splash10-01qc-9200000000-1f7dfaac4787a0222fd1	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Histidinyl-Asparagine 10V, Negative-QTOF	splash10-014i-0190000000-96110afa18130484c0f2	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Histidinyl-Asparagine 20V, Negative-QTOF	splash10-0f6x-8980000000-862c77df4f065499c8e3	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Histidinyl-Asparagine 40V, Negative-QTOF	splash10-0006-9300000000-f851b86d610b9748fdf9	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Histidinyl-Asparagine 10V, Negative-QTOF	splash10-0w90-0960000000-2e45d4827940971193f6	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Histidinyl-Asparagine 20V, Negative-QTOF	splash10-03gl-5900000000-142fcbe848a28af5fe64	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Histidinyl-Asparagine 40V, Negative-QTOF	splash10-0006-9100000000-98b1b02da1203661f81a	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Histidinyl-Asparagine 10V, Positive-QTOF	splash10-00di-0290000000-87bb23be46b773fbf660	2021-10-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Histidinyl-Asparagine 20V, Positive-QTOF	splash10-03di-3920000000-190519fcab1f7e40cd01	2021-10-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Histidinyl-Asparagine 40V, Positive-QTOF	splash10-03e9-9500000000-4b6b62b7b21c57b3364a	2021-10-22	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

FDB098204

KNApSAcK ID

Not Available

Chemspider ID

8035892

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

9860193

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 Histidinyl-Asparagine (HMDB0304779)

MOL for HMDB0304779 (Histidinyl-Asparagine)

3D MOL for HMDB0304779 (Histidinyl-Asparagine)

3D SDF for HMDB0304779 (Histidinyl-Asparagine)

3D-SDF for HMDB0304779 (Histidinyl-Asparagine)

PDB for HMDB0304779 (Histidinyl-Asparagine)

3D PDB for HMDB0304779 (Histidinyl-Asparagine)

SMILES for HMDB0304779 (Histidinyl-Asparagine)

INCHI for HMDB0304779 (Histidinyl-Asparagine)

Structure for HMDB0304779 (Histidinyl-Asparagine)

3D Structure for HMDB0304779 (Histidinyl-Asparagine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Derivatized

GC-MS Spectra

MS/MS Spectra