CHEBI:34560 - Benzo[a]pyrene-4,5-oxide

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ChEBI Name Benzo[a]pyrene-4,5-oxide
ChEBI ID CHEBI:34560
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H12O
Net Charge 0
Average Mass 268.309
Monoisotopic Mass 268.08882
InChI InChI=1S/C20H12O/c1-2-6-13-12(4-1)10-16-18-14(13)9-8-11-5-3-7-15(17(11)18)19-20(16)21-19/h1-10,19-20H
InChIKey XGZQLNASOQVQTD-UHFFFAOYSA-N
SMILES O1C2C1c1cc3ccccc3c3ccc4cccc2c4c13
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
ChEBI Ontology
Outgoing Benzo[a]pyrene-4,5-oxide (CHEBI:34560) is a carbopolycyclic compound (CHEBI:35294)
Synonyms Sources
Benzo[a]pyrene-4,5-epoxide KEGG COMPOUND
Benzo[a]pyrene-4,5-oxide KEGG COMPOUND
Manual Xrefs Databases
C14851 KEGG COMPOUND
HMDB0060091 HMDB
View more database links
Registry Number Type Source
37574-47-3 CAS Registry Number KEGG COMPOUND
Last Modified
27 January 2016