CHEBI:16482 - naphthalene

Main ChEBI Ontology Automatic Xrefs
ChEBI Name naphthalene
ChEBI ID CHEBI:16482
Definition An aromatic hydrocarbon comprising two fused benzene rings. It occurs in the essential oils of numerous plant species e.g. magnolia.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:44619, CHEBI:7472, CHEBI:14638, CHEBI:25469
Supplier Information
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Formula C10H8
Net Charge 0
Average Mass 128.17052
InChI InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H
InChIKey UFWIBTONFRDIAS-UHFFFAOYSA-N
SMILES c1ccc2ccccc2c1
Metabolite of Species Details
Homo sapiens (NCBI:9606) See: DOI
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role(s): volatile oil component
Any metabolite that is found naturally as a component of a volatile oil.
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.
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ChEBI Ontology
Outgoing naphthalene (CHEBI:16482) has role carcinogenic agent (CHEBI:50903)
naphthalene (CHEBI:16482) has role environmental contaminant (CHEBI:78298)
naphthalene (CHEBI:16482) has role plant metabolite (CHEBI:76924)
naphthalene (CHEBI:16482) has role volatile oil component (CHEBI:27311)
naphthalene (CHEBI:16482) is a ortho-fused bicyclic arene (CHEBI:35426)
naphthalene (CHEBI:16482) is a naphthalenes (CHEBI:25477)
Incoming 1,4-naphthoquinone (CHEBI:27418) has parent hydride naphthalene (CHEBI:16482)
1-naphthyl isothiocyanate (CHEBI:35455) has parent hydride naphthalene (CHEBI:16482)
aureoquinone (CHEBI:65458) has parent hydride naphthalene (CHEBI:16482)
dimethylnaphthalene (CHEBI:48853) has parent hydride naphthalene (CHEBI:16482)
methylnaphthalene (CHEBI:50715) has parent hydride naphthalene (CHEBI:16482)
naphthalene 1,2-oxide (CHEBI:52431) has parent hydride naphthalene (CHEBI:16482)
naphthalene-2,6-dicarboxylic acid (CHEBI:44460) has parent hydride naphthalene (CHEBI:16482)
naphthylacetic acid (CHEBI:35629) has parent hydride naphthalene (CHEBI:16482)
nitronaphthalene (CHEBI:50631) has parent hydride naphthalene (CHEBI:16482)
tetralin (CHEBI:35008) has parent hydride naphthalene (CHEBI:16482)
IUPAC Name
naphthalene
Synonyms Sources
naftaleno ChEBI
naftalina ChEBI
naphtalène ChEBI
naphtaline ChEBI
Naphthalen ChEBI
Naphthalene KEGG COMPOUND
NAPHTHALENE PDBeChem
Naphthalin NIST Chemistry WebBook
Database Links Databases
C00001259 KNApSAcK
C00829 KEGG COMPOUND
c0333 UM-BBD
HMDB29751 HMDB
Naphthalene Wikipedia
NAPHTHALENE MetaCyc
NPY PDBeChem
View more database links
Registry Numbers Types Sources
1421310 Reaxys Registry Number Reaxys
1421310 Beilstein Registry Number Beilstein
3347 Gmelin Registry Number Gmelin
91-20-3 CAS Registry Number KEGG COMPOUND
91-20-3 CAS Registry Number ChemIDplus
91-20-3 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
11202734 PubMed citation CiteXplore
16220979 PubMed citation CiteXplore
17850896 PubMed citation CiteXplore
Last Modified
28 July 2014