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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:51687 - chrysene
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ChEBI Ontology
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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
Supplier Information
ChemicalBook:CB9853344
,
eMolecules:500537
,
ZINC000001693315
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Molfile
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Wikipedia
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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
Types
Sources
24128549
PubMed citation
Europe PMC
24382467
PubMed citation
Europe PMC
24519633
PubMed citation
Europe PMC
Last Modified
05 July 2016