CHEBI:51687 - chrysene

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ChEBI Name chrysene
ChEBI ID CHEBI:51687
Definition An ortho-fused polycyclic arene found commonly in the coal tar.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:34639, CHEBI:33087
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Formula C18H12
Net Charge 0
Average Mass 228.28788
Monoisotopic Mass 228.094
InChI InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H
InChIKey WDECIBYCCFPHNR-UHFFFAOYSA-N
SMILES c1ccc2c(c1)ccc1c3ccccc3ccc21
Metabolite of Species Details
Camellia sinensis (NCBI:4442) See: DOI
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
carcinogenic agent
A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
(via polycyclic arene )
Application(s): endocrine disruptor
Any compound that can disrupt the functions of the endocrine (hormone) system
(via polycyclic arene )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing chrysene (CHEBI:51687) has role plant metabolite (CHEBI:76924)
chrysene (CHEBI:51687) is a ortho-fused polycyclic arene (CHEBI:35296)
Incoming hydroxychrysene (CHEBI:132400) has parent hydride chrysene (CHEBI:51687)
IUPAC Name
chrysene
Synonyms Sources
1,2,5,6-dibenzonaphthalene NIST Chemistry WebBook
1,2-Benzophenanthrene KEGG COMPOUND
Benz[a]phenanthrene KEGG COMPOUND
benzo[a]phenanthrene NIST Chemistry WebBook
Chrysen ChEBI
Chrysene KEGG COMPOUND
Database Links Databases
C14222 KEGG COMPOUND
Chrysene Wikipedia
CPD-13772 MetaCyc
View more database links
Registry Numbers Types Sources
1909297 Beilstein Registry Number Beilstein
218-01-9 CAS Registry Number NIST Chemistry WebBook
218-01-9 CAS Registry Number ChemIDplus
262600 Gmelin Registry Number Gmelin
Citations Waiting for Citations Types Sources
24128549 PubMed citation Europe PMC
24382467 PubMed citation Europe PMC
24519633 PubMed citation Europe PMC
Last Modified
05 July 2016