CHEBI:28851 - phenanthrene

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ChEBI Name phenanthrene
ChEBI ID CHEBI:28851
Definition A polycyclic aromatic hydrocarbon composed of three fused benzene rings which takes its name from the two terms 'phenyl' and 'anthracene.'
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:44893, CHEBI:8051, CHEBI:25951
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Formula C14H10
Net Charge 0
Average Mass 178.22920
Monoisotopic Mass 178.078
InChI InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H
InChIKey YNPNZTXNASCQKK-UHFFFAOYSA-N
SMILES c1ccc2c(c1)ccc1ccccc21
Metabolite of Species Details
Mus musculus (NCBI:10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
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 )
xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
(via phenanthrenes )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing phenanthrene (CHEBI:28851) has role environmental contaminant (CHEBI:78298)
phenanthrene (CHEBI:28851) has role mouse metabolite (CHEBI:75771)
phenanthrene (CHEBI:28851) is a ortho-fused polycyclic arene (CHEBI:35296)
phenanthrene (CHEBI:28851) is a ortho-fused tricyclic hydrocarbon (CHEBI:37089)
phenanthrene (CHEBI:28851) is a phenanthrenes (CHEBI:25961)
Incoming 9-phenanthrol (CHEBI:28820) has parent hydride phenanthrene (CHEBI:28851)
perfluorophenanthrene (CHEBI:39423) has parent hydride phenanthrene (CHEBI:28851)
IUPAC Name
phenanthrene
Synonyms Sources
Phenanthracene KEGG COMPOUND
Phenanthracene KEGG COMPOUND
Phenanthren ChemIDplus
Phenanthrene KEGG COMPOUND
PHENANTHRENE PDBeChem
Database Links Databases
c0431 UM-BBD
C11422 KEGG COMPOUND
CPD-13485 MetaCyc
DB08381 DrugBank
PEY PDBeChem
Phenanthrene Wikipedia
View more database links
Registry Numbers Types Sources
1905428 Reaxys Registry Number Reaxys
1905428 Beilstein Registry Number Beilstein
28699 Gmelin Registry Number Gmelin
85-01-8 CAS Registry Number KEGG COMPOUND
85-01-8 CAS Registry Number NIST Chemistry WebBook
85-01-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11472527 PubMed citation Europe PMC
24216621 PubMed citation Europe PMC
24722053 PubMed citation Europe PMC
Last Modified
16 July 2016