CHEBI:18404 - 3-methylcatechol

ChEBI IDCHEBI:18404
ChEBI Name3-methylcatechol
Stars
DefinitionA methylcatechol carrying a methyl substituent at position 3. It is a xenobiotic metabolite produced by some bacteria capable of degrading nitroaromatic compounds present in pesticide-contaminated soil samples.
Secondary ChEBI IDsCHEBI:887, CHEBI:11857, CHEBI:20127, CHEBI:43829
Last Modified4 August 2015
DownloadsMolfile
FormulaC7H8O2
Net Charge0
Average Mass124.139
Monoisotopic Mass124.05243
SMILESCc1cccc(O)c1O
InChIInChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3
InChIKeyPGSWEKYNAOWQDF-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
ChEBI Ontology
Outgoing Relation(s)
3-methylcatechol (CHEBI:18404) has role bacterial xenobiotic metabolite (CHEBI:76976)
3-methylcatechol (CHEBI:18404) is a methylcatechol (CHEBI:25289)
Incoming Relation(s)
4-chloro-3-methylcatechol (CHEBI:142282) has functional parent 3-methylcatechol (CHEBI:18404)
IUPAC Name 
3-methylbenzene-1,2-diol
Synonyms  Source
2,3-dihydroxytolueneChEBI
2,3-DihydroxytolueneKEGG COMPOUND
3-MethylcatecholKEGG COMPOUND
3-METHYLCATECHOLPDBeChem
UniProt Name  Source
3-methylcatecholUniProt
Manual XrefsDatabases
3-MethylcatecholWikipedia
c0125UM-BBD
C02923KEGG COMPOUND
C02923KEGG COMPOUND
CPD-111MetaCyc
DB03454DrugBank
MBDPDBeChem
Registry NumbersSources
Reaxys:774602Reaxys
CAS:488-17-5ChemIDplus
CAS:488-17-5KEGG COMPOUND
Citations