Marvin  07280814352D          

 11 11  0  0  0  0            999 V2000
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4991    0.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9839    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4990   -0.6675    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1433    0.4126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 10  1  0  0  0  0
  4  1  2  0  0  0  0
  8  4  1  0  0  0  0
  3  5  1  1  0  0  0
  7  6  2  0  0  0  0
  7  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
M  END
> <ID>
CHEBI:15971

> <NAME>
L-histidine

> <DEFINITION>
The L-enantiomer of the amino acid histidine.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:43239; CHEBI:43114; CHEBI:43190; CHEBI:43048; CHEBI:6240; CHEBI:13117; CHEBI:21324

> <SYNONYM>
L-Histidine; L-Histidin; L-(-)-histidine; HISTIDINE; His; H; (S)-alpha-Amino-1H-imidazole-4-propionic acid; (S)-alpha-amino-1H-Imidazole-4-propanoic acid; (S)-4-(2-Amino-2-carboxyethyl)imidazole

> <IUPAC_NAME>
L-histidine; (2S)-2-amino-3-(1H-imidazol-4-yl)propanoic acid

> <FORMULA>
C6H9N3O2

> <MASS>
155.15468

> <MONOISOTOPIC_MASS>
155.06948

> <CHARGE>
0

> <SMILES>
N[C@@H](Cc1c[nH]cn1)C(O)=O

> <INCHI>
InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1

> <INCHIKEY>
HNDVDQJCIGZPNO-YFKPBYRVSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
84088

> <CAS_REGISTRY_NUMBER>
71-00-1

> <GMELIN_REGISTRY_NUMBER>
83042

> <REAXYS_REGISTRY_NUMBER>
84088

> <CHEMIDPLUS>
71-00-1

> <DRUGBANK_ACCESSION>
DB00117

> <ECMDB_ACCESSION>
ECMDB00177

> <KEGG_COMPOUND_ACCESSION>
C00135

> <KEGG_DRUG_ACCESSION>
D00032

> <KNAPSACK_ACCESSION>
C00001363

> <METACYC_ACCESSION>
HIS

> <NIST_CHEMISTRY_WEBBOOK>
71-00-1

> <PDBECHEM_ACCESSION>
HIS

> <WIKIPEDIA_ACCESSION>
L-histidine

> <YMDB_ACCESSION>
YMDB00369

> <PUBMED_CITATION>
15206581; 21608102; 21719207; 22324399; 22415677; 22517640

$$$$