CHEBI:85239 - 4-hydroxy-3-methylbenzoic acid

ChEBI IDCHEBI:85239
ChEBI Name4-hydroxy-3-methylbenzoic acid
Stars
DefinitionA monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted by a methyl group at position 3.
Last Modified23 October 2015
Submitternamrata
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FormulaC8H8O3
Net Charge0
Average Mass152.149
Monoisotopic Mass152.04734
SMILESCc1cc(C(=O)O)ccc1O
InChIInChI=1S/C8H8O3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,9H,1H3,(H,10,11)
InChIKeyLTFHNKUKQYVHDX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS90)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human blood serum metabolite  Any metabolite (endogenous or exogenous) found in human blood serum samples.
ChEBI Ontology
Outgoing Relation(s)
4-hydroxy-3-methylbenzoic acid (CHEBI:85239) has role human blood serum metabolite (CHEBI:85234)
4-hydroxy-3-methylbenzoic acid (CHEBI:85239) is a monohydroxybenzoic acid (CHEBI:25389)
4-hydroxy-3-methylbenzoic acid (CHEBI:85239) is a toluenes (CHEBI:27024)
IUPAC Name 
4-hydroxy-3-methylbenzoic acid
Synonyms  Source
4,3-Cresotic acidHMDB
4-Hydroxy-m-toluic acidChemIDplus
Manual XrefsDatabases
HMDB0004815HMDB
Registry NumbersSources
Reaxys:2082472Reaxys
CAS:499-76-3ChemIDplus
CAS:499-76-3NIST Chemistry WebBook
Citations