CHEBI:17231 - m-cresol

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ChEBI Name m-cresol
ChEBI ID CHEBI:17231
ChEBI ASCII Name m-cresol
Definition A cresol with the methyl substituent at position 3. It is a minor urinary metabolite of toluene.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:41602, CHEBI:11771, CHEBI:1476, CHEBI:19988
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Formula C7H8O
Net Charge 0
Average Mass 108.13780
Monoisotopic Mass 108.058
InChI InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
InChIKey RLSSMJSEOOYNOY-UHFFFAOYSA-N
SMILES Cc1cccc(O)c1
Roles Classification
Biological Role(s): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
fungicide
A substance used to destroy fungal pests.
(via aromatic fungicide )
Application(s): fungicide
A substance used to destroy fungal pests.
(via aromatic fungicide )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing m-cresol (CHEBI:17231) has role human xenobiotic metabolite (CHEBI:76967)
m-cresol (CHEBI:17231) is a cresol (CHEBI:25399)
Incoming 4-(methylsulfanyl)-m-cresol (CHEBI:38681) has functional parent m-cresol (CHEBI:17231)
4-nitro-m-cresol (CHEBI:38683) has functional parent m-cresol (CHEBI:17231)
amylmetacresol (CHEBI:48213) has functional parent m-cresol (CHEBI:17231)
metolcarb (CHEBI:38537) has functional parent m-cresol (CHEBI:17231)
IUPAC Name
3-methylphenol
Synonyms Sources
1-hydroxy-3-methylbenzene NIST Chemistry WebBook
3-Cresol KEGG COMPOUND
3-Hydroxytoluene KEGG COMPOUND
3-phenylphenol UniProt
m-Cresol KEGG COMPOUND
M-CRESOL PDBeChem
m-Kresol NIST Chemistry WebBook
m-methylphenol NIST Chemistry WebBook
meta-cresol NIST Chemistry WebBook
metacresol ChemIDplus
Database Links Databases
C01467 KEGG COMPOUND
c0282 UM-BBD
CPD-112 MetaCyc
CRS PDBeChem
D04951 KEGG DRUG
DB01776 DrugBank
HMDB0002048 HMDB
M-cresol Wikipedia
View more database links
Registry Numbers Types Sources
101411 Gmelin Registry Number Gmelin
108-39-4 CAS Registry Number ChemIDplus
108-39-4 CAS Registry Number NIST Chemistry WebBook
506719 Beilstein Registry Number Beilstein
506719 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
15687000 PubMed citation Europe PMC
23190556 PubMed citation Europe PMC
Last Modified
23 October 2015