CHEBI:51687 - chrysene

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
more structures >>
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C18H12
Net Charge 0
Average Mass 228.28788
Monoisotopic Mass 228.09390
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:txid4442) 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
Manual Xrefs 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
Last Modified
05 July 2016