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CHEBI:51687 - chrysene

ChEBI IDCHEBI:51687
ChEBI Namechrysene
Stars
DefinitionAn ortho-fused polycyclic arene found commonly in the coal tar.
Secondary ChEBI IDsCHEBI:33087, CHEBI:34639
Last Modified5 July 2016
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC18H12
Net Charge0
Average Mass228.294
Monoisotopic Mass228.09390
SMILESc1ccc2c(c1)ccc1c3ccccc3ccc21
InChIInChI=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
InChIKeyWDECIBYCCFPHNR-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Camellia sinensis (ncbitaxon:4442) - DOI (10.1016/j.foodchem.2013.08.121)
Roles Classification
Biological Roles:
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.
Application:
endocrine disruptor  Any compound that can disrupt the functions of the endocrine (hormone) system
ChEBI Ontology
Outgoing Relation(s)
chrysene (CHEBI:51687) has role plant metabolite (CHEBI:76924)
chrysene (CHEBI:51687) is a ortho-fused polycyclic arene (CHEBI:35296)
Incoming Relation(s)
hydroxychrysene (CHEBI:132400) has parent hydride chrysene (CHEBI:51687)
IUPAC Name 
chrysene
Synonyms  Source
benzo[a]phenanthreneNIST Chemistry WebBook
ChrysenChEBI
1,2,5,6-dibenzonaphthaleneNIST Chemistry WebBook
Benz[a]phenanthreneKEGG COMPOUND
ChryseneKEGG COMPOUND
1,2-BenzophenanthreneKEGG COMPOUND
Manual XrefsDatabases
C14222KEGG COMPOUND
CPD-13772MetaCyc
ChryseneWikipedia
Registry NumbersSources
Beilstein:1909297Beilstein
Gmelin:262600Gmelin
CAS:218-01-9ChemIDplus
CAS:218-01-9NIST Chemistry WebBook
CAS:218-01-9KEGG COMPOUND
Citations