CHEBI:30614 - benzo[a]pyrene diol epoxide I

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ChEBI Name benzo[a]pyrene diol epoxide I
ChEBI ID CHEBI:30614
ChEBI ASCII Name benzo[a]pyrene diol epoxide I
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H14O3
Net Charge 0
Average Mass 302.32336
Monoisotopic Mass 302.09429
InChI InChI=1S/C20H14O3/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)19-20(23-19)18(17)22/h1-8,17-22H
InChIKey DQEPMTIXHXSFOR-UHFFFAOYSA-N
SMILES OC1C(O)c2cc3ccc4cccc5ccc(c2C2OC12)c3c45
Metabolite of Species Details
Apis cerana (NCBI:txid7461) See: MetaboLights Study
Roles Classification
Biological Role(s): intercalator
A role played by a chemical agent which exhibits the capability of occupying space between DNA base pairs due to particular properties in size, shape and charge. Intercalation of chemical compounds in DNA helix can result in replication errors (shift, mutation) or DNA damages.
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ChEBI Ontology
Outgoing benzo[a]pyrene diol epoxide I (CHEBI:30614) has parent hydride benzo[a]pyrene (CHEBI:29865)
benzo[a]pyrene diol epoxide I (CHEBI:30614) has role intercalator (CHEBI:24853)
benzo[a]pyrene diol epoxide I (CHEBI:30614) is a epoxide (CHEBI:32955)
IUPAC Names
7,8,8a,9a-tetrahydrobenzo[1,12]tetrapheno[10,11-b]oxirene-7,8-diol
7,8,8a,9a-tetrahydrobenzo[10,11]chryseno[3,4-b]oxirene-7,8-diol
Synonyms Sources
7,8-Dihydro-7,8-dihydroxybenzo[a]pyrene 9,10-oxide KEGG COMPOUND
Benzo(a)pyrene diol epoxide ChemIDplus
benzo(a)pyrene diolepoxide I ChemIDplus
benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide ChEBI
BP 7,8-Diol-9,10-epoxide 2 ChemIDplus
BPDE ChemIDplus
Manual Xref Database
C14853 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1353131 Beilstein Registry Number Beilstein
55097-80-8 CAS Registry Number KEGG COMPOUND
58917-67-2 CAS Registry Number ChemIDplus
Last Modified
14 June 2017