CHEBI:4803 - epibatidine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name epibatidine
ChEBI ID CHEBI:4803
Stars This entity has been manually annotated by a third party.
Secondary ChEBI IDs CHEBI:47399
Supplier Information
Download Molfile XML SDF
more structures >>
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C11H13ClN2
Net Charge 0
Average Mass 208.690
Monoisotopic Mass 208.07673
InChI InChI=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
InChIKey NLPRAJRHRHZCQQ-XVBQNVSMSA-N
SMILES C12C[C@@]([C@@H](N1)CC2)(C=3C=NC(=CC3)Cl)[H]
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing epibatidine (CHEBI:4803) is a alkaloid (CHEBI:22315)
Synonyms Sources
(1R,2R,4S)-2-(6-chloropyridin-3-yl)-7-azabicyclo[2.2.1]heptane PDBeChem
CMI 488 KNApSAcK
CMI-488 ChEBI
epibatidine KEGG COMPOUND
Manual Xrefs Databases
C00028244 KNApSAcK
C11690 KEGG COMPOUND
DB07720 DrugBank
Epibatidine Wikipedia
EPJ PDBeChem
View more database links
Registry Number Type Source
140111-52-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
16193063 PubMed citation Europe PMC
20337496 PubMed citation Europe PMC
21909087 PubMed citation Europe PMC
8112391 PubMed citation Europe PMC
Last Modified
22 March 2019