CHEBI:17637 - 6-methylsalicylic acid

ChEBI IDCHEBI:17637
ChEBI Name6-methylsalicylic acid
Stars
DefinitionA monohydroxybenzoic acid that is salicylic acid in which the hydrogen ortho to the carboxylic acid group is substituted by a methyl group.
Secondary ChEBI IDsCHEBI:1165, CHEBI:2218, CHEBI:19649, CHEBI:20743, CHEBI:28178
Last Modified23 October 2015
DownloadsMolfile
FormulaC8H8O3
Net Charge0
Average Mass152.149
Monoisotopic Mass152.04734
SMILESCc1cccc(O)c1C(=O)O
InChIInChI=1S/C8H8O3/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4,9H,1H3,(H,10,11)
InChIKeyHCJMNOSIAGSZBM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium griseofulvum (ncbitaxon:5078) - PubMed (16345795)
Leibnitzia anandria (ncbitaxon:41596) - PubMed (24699147)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
Penicillium metabolite  Any fungal metabolite produced during a metabolic reaction in Penicillium.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
6-methylsalicylic acid (CHEBI:17637) has functional parent salicylic acid (CHEBI:16914)
6-methylsalicylic acid (CHEBI:17637) has role Penicillium metabolite (CHEBI:76964)
6-methylsalicylic acid (CHEBI:17637) has role plant metabolite (CHEBI:76924)
6-methylsalicylic acid (CHEBI:17637) is a monohydroxybenzoic acid (CHEBI:25389)
6-methylsalicylic acid (CHEBI:17637) is conjugate acid of 6-methylsalicylate (CHEBI:36658)
Incoming Relation(s)
6-methylsalicylate (CHEBI:36658) is conjugate base of 6-methylsalicylic acid (CHEBI:17637)
IUPAC Name 
2-hydroxy-6-methylbenzoic acid
Synonyms  Source
6-Methylsalicylic acidKEGG COMPOUND
Methylsalicylic acidKEGG COMPOUND
6-Hydroxy-o-toluic acidChemIDplus
2,6-Cresotic acidChemIDplus
2-hydroxy-6-methylbenzoic acidChemIDplus
6-Methyl-2-hydroxybenzenecarboxylateKEGG COMPOUND
Manual XrefsDatabases
C02657KEGG COMPOUND
C02657KEGG COMPOUND
LMPK13010002LIPID MAPS
C00000486KNApSAcK
CPD-637MetaCyc
C00002658KNApSAcK
Registry NumbersSources
Reaxys:2208693Reaxys
CAS:567-61-3KEGG COMPOUND
CAS:567-61-3ChemIDplus
CAS:612-20-4KEGG COMPOUND
Citations