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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
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CHEBI:4803 - epibatidine
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ChEBI Ontology
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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
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Molfile
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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
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