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CHEBI:17231 - m-cresol

ChEBI IDCHEBI:17231
ChEBI Namem-cresol
Stars
ASCII Namem-cresol
DefinitionA cresol with the methyl substituent at position 3. It is a minor urinary metabolite of toluene.
Secondary ChEBI IDsCHEBI:1476, CHEBI:11771, CHEBI:19988, CHEBI:41602
Last Modified21 December 2018
DownloadsMolfile
FormulaC7H8O
Net Charge0
Average Mass108.140
Monoisotopic Mass108.05751
SMILESCc1cccc(O)c1
InChIInChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
InChIKeyRLSSMJSEOOYNOY-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
fungicide  A substance used to destroy fungal pests.
Application:
fungicide  A substance used to destroy fungal pests.
ChEBI Ontology
Outgoing Relation(s)
m-cresol (CHEBI:17231) has role human xenobiotic metabolite (CHEBI:76967)
m-cresol (CHEBI:17231) is a cresol (CHEBI:25399)
Incoming Relation(s)
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  Source
1-hydroxy-3-methylbenzeneNIST Chemistry WebBook
3-CresolKEGG COMPOUND
3-HydroxytolueneKEGG COMPOUND
m-KresolNIST Chemistry WebBook
m-methylphenolNIST Chemistry WebBook
meta-cresolNIST Chemistry WebBook
UniProt Name  Source
3-methylphenolUniProt
Manual XrefsDatabases
C01467KEGG COMPOUND
c0282UM-BBD
CPD-112MetaCyc
CRSPDBeChem
D04951KEGG DRUG
DB01776DrugBank
HMDB0002048HMDB
M-cresolWikipedia
Registry NumbersSources
Gmelin:101411Gmelin
Reaxys:506719Reaxys
CAS:108-39-4KEGG COMPOUND
CAS:108-39-4NIST Chemistry WebBook
CAS:108-39-4ChemIDplus
Citations