CHEBI:3388 - carbamazepine-10,11-epoxide

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ChEBI Name carbamazepine-10,11-epoxide
Definition An epoxide and metabolite of carbamazepine.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C15H12N2O2
Net Charge 0
Average Mass 252.26800
Monoisotopic Mass 252.08988
InChI InChI=1S/C15H12N2O2/c16-15(18)17-11-7-3-1-5-9(11)13-14(19-13)10-6-2-4-8-12(10)17/h1-8,13-14H,(H2,16,18)
SMILES NC(=O)N1c2ccccc2C2OC2c2ccccc12
Roles Classification
Biological Role(s): allergen
A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
drug metabolite

marine xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
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ChEBI Ontology
Outgoing carbamazepine-10,11-epoxide (CHEBI:3388) has functional parent carbamazepine (CHEBI:3387)
carbamazepine-10,11-epoxide (CHEBI:3388) has role allergen (CHEBI:50904)
carbamazepine-10,11-epoxide (CHEBI:3388) has role drug metabolite (CHEBI:49103)
carbamazepine-10,11-epoxide (CHEBI:3388) has role marine xenobiotic metabolite (CHEBI:83399)
carbamazepine-10,11-epoxide (CHEBI:3388) is a dibenzoazepine (CHEBI:47804)
carbamazepine-10,11-epoxide (CHEBI:3388) is a epoxide (CHEBI:32955)
carbamazepine-10,11-epoxide (CHEBI:3388) is a ureas (CHEBI:47857)
Synonyms Sources
10,11-Epoxycarbamazepine ChemIDplus
Carbamazepine 10,11-oxide ChemIDplus
Carbamazepine epoxide KEGG COMPOUND
Manual Xrefs Databases
HMDB0060658 HMDB
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Registry Numbers Types Sources
1219988 Reaxys Registry Number Reaxys
1219988 Beilstein Registry Number ChemIDplus
36507-30-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
22322005 PubMed citation Europe PMC
22443929 PubMed citation Europe PMC
24632353 PubMed citation Europe PMC
7233491 PubMed citation Europe PMC
Last Modified
07 March 2019