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ChEBI
> Main
CHEBI:3388 - carbamazepine-10,11-epoxide
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ChEBI Ontology
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ChEBI Name
carbamazepine-10,11-epoxide
ChEBI ID
CHEBI:3388
Definition
An epoxide and metabolite of carbamazepine.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
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Molfile
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)
InChIKey
ZRWWEEVEIOGMMT-UHFFFAOYSA-N
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.
View more via ChEBI Ontology
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
)
IUPAC Name
1a,10b-dihydro-6
H
-dibenzo[
b
,
f
]oxireno[
d
]azepine-6-carboxamide
Synonyms
Sources
10,11-Epoxycarbamazepine
ChemIDplus
Carbamazepine 10,11-oxide
ChemIDplus
Carbamazepine epoxide
KEGG COMPOUND
Manual Xrefs
Databases
C07496
KEGG COMPOUND
HMDB0060658
HMDB
View more database links
Registry Numbers
Types
Sources
1219988
Reaxys Registry Number
Reaxys
1219988
Beilstein Registry Number
ChemIDplus
36507-30-9
CAS Registry Number
ChemIDplus
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