CHEBI:20141 - 3-methylsalicylic acid

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ChEBI Name 3-methylsalicylic acid
Definition A monohydroxybenzoic acid consisting of salicylic acid carrying a methyl group at the 3-position.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C8H8O3
Net Charge 0
Average Mass 152.14730
Monoisotopic Mass 152.04734
InChI InChI=1S/C8H8O3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11)
SMILES Cc1cccc(C(O)=O)c1O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): bacterial xenobiotic metabolite
Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
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ChEBI Ontology
Outgoing 3-methylsalicylic acid (CHEBI:20141) has functional parent salicylic acid (CHEBI:16914)
3-methylsalicylic acid (CHEBI:20141) has role bacterial xenobiotic metabolite (CHEBI:76976)
3-methylsalicylic acid (CHEBI:20141) is a monohydroxybenzoic acid (CHEBI:25389)
2-hydroxy-3-methylbenzoic acid
INNs Sources
acide hydroxytoluique ChemIDplus
acido hidroxitoluico ChemIDplus
acidum hydroxytoluicum ChemIDplus
hydroxytoluic acid ChemIDplus
Synonyms Sources
2,3-Cresotinic acid ChemIDplus
2-Hydroxy-3-methylbenzoic acid ChemIDplus
2-Hydroxy-m-toluic acid NIST Chemistry WebBook
2-Hydroxy-m-toluic acid ChemIDplus
3-Methyl-2-hydroxybenzoic acid ChemIDplus
3-Methylsalicylsäure ChemIDplus
3-MS ChemIDplus
β-Cresotinic acid NIST Chemistry WebBook
Cresotic acid ChemIDplus
Cresotinic acid ChemIDplus
Homosalicylic acid ChemIDplus
Hydroxytoluylsäure ChemIDplus
o-Cresotic acid ChemIDplus
o-Cresotinic acid ChemIDplus
o-Homosalicylic acid ChemIDplus
Manual Xrefs Databases
HMDB0002390 HMDB
View more database links
Registry Numbers Types Sources
2086811 Reaxys Registry Number Reaxys
83-40-9 CAS Registry Number NIST Chemistry WebBook
83-40-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
4850727 PubMed citation Europe PMC
4932011 PubMed citation Europe PMC
5866726 PubMed citation Europe PMC
Last Modified
25 February 2016