L-histidine   

GtoPdb Ligand ID: 3310

Abbreviated name: L-His
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 92
Molecular weight 155.07
XLogP -3.12
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES NC(C(=O)O)Cc1c[nH]cn1
Isomeric SMILES N[C@H](C(=O)O)Cc1c[nH]cn1
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
InChI Key HNDVDQJCIGZPNO-YFKPBYRVSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
(2S)-2-amino-3-(imidazol-4-yl)propanoic acid
International Nonproprietary Names
INN number INN
6163 histidine
Database Links
CAS Registry No. 71-00-1 (source: Scifinder)
ChEBI CHEBI:15971
ChEMBL Ligand CHEMBL17962
DrugBank Ligand DB00117
DrugCentral Ligand 1377
GtoPdb PubChem SID 178100344
PubChem CID 6274
Search Google for chemical match using the InChIKey HNDVDQJCIGZPNO-YFKPBYRVSA-N
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Search UniChem for chemical match using the InChIKey HNDVDQJCIGZPNO-YFKPBYRVSA-N
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Wikipedia L-histidine