CHEBI:39106 - pyrene

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ChEBI Name pyrene
ChEBI ID CHEBI:39106
Definition An ortho- and peri-fused polycyclic arene consisting of four fused benzene rings, resulting in a flat aromatic system.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:29860, CHEBI:34940
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Formula C16H10
Net Charge 0
Average Mass 202.25060
InChI InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H
InChIKey BBEAQIROQSPTKN-UHFFFAOYSA-N
SMILES c1cc2ccc3cccc4ccc(c1)c2c34
Roles Classification
Biological Role(s): 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 )
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ChEBI Ontology
Outgoing pyrene (CHEBI:39106) is a ortho- and peri-fused polycyclic arene (CHEBI:35300)
Incoming 1-nitropyrene (CHEBI:34107) has parent hydride pyrene (CHEBI:39106)
8-methoxypyrene-1,3,6-trisulfonic acid (CHEBI:85377) has parent hydride pyrene (CHEBI:39106)
Alexa Fluor 405 (CHEBI:51746) has parent hydride pyrene (CHEBI:39106)
pyranine (CHEBI:52083) has parent hydride pyrene (CHEBI:39106)
pyranine(3−) (CHEBI:52861) has parent hydride pyrene (CHEBI:39106)
IUPAC Name
pyrene
Synonyms Sources
benzo[def]phenanthrene NIST Chemistry WebBook
β-pyrene NIST Chemistry WebBook
Pyren ChemIDplus
Pyrene KEGG COMPOUND
Database Links Databases
C14335 KEGG COMPOUND
HMDB42002 HMDB
Pyrene Wikipedia
View more database links
Registry Numbers Types Sources
129-00-0 CAS Registry Number KEGG COMPOUND
129-00-0 CAS Registry Number ChemIDplus
129-00-0 CAS Registry Number NIST Chemistry WebBook
1307225 Beilstein Registry Number Beilstein
1307225 Reaxys Registry Number Reaxys
84203 Gmelin Registry Number Gmelin
Citations Waiting for Citations Types Sources
17517702 PubMed citation CiteXplore
18428918 PubMed citation CiteXplore
18709924 PubMed citation CiteXplore
24406158 PubMed citation CiteXplore
7561049 PubMed citation CiteXplore
Last Modified
02 April 2015