EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:4803 - epibatidine

ChEBI IDCHEBI:4803
ChEBI Nameepibatidine
Stars
Secondary ChEBI IDCHEBI:47399
Last Modified22 March 2019
DownloadsMolfile
FormulaC11H13ClN2
Net Charge0
Average Mass208.692
Monoisotopic Mass208.07673
SMILES[H][C@]1(c2ccc(Cl)nc2)CC2CC[C@@H]1N2
InChIInChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8?,9-,10+/m1/s1
InChIKeyNLPRAJRHRHZCQQ-XVBQNVSMSA-N
Wikipedia
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
epibatidine (CHEBI:4803) is a alkaloid (CHEBI:22315)
Synonyms  Source
(1R,2R,4S)-2-(6-chloropyridin-3-yl)-7-azabicyclo[2.2.1]heptanePDBeChem
CMI 488KNApSAcK
CMI-488ChEBI
epibatidineKEGG COMPOUND
Manual XrefsDatabases
C00028244KNApSAcK
C11690KEGG COMPOUND
DB07720DrugBank
EpibatidineWikipedia
EPJPDBeChem
Registry NumbersSources
CAS:140111-52-0KEGG COMPOUND
CAS:140111-52-0ChemIDplus
Citations