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CHEBI:89918 - 5-methylfuran-2-carboxylic acid

ChEBI IDCHEBI:89918
ChEBI Name5-methylfuran-2-carboxylic acid
Stars
DefinitionA member of the class of furoic acids that is 2-furoic acid substituted at position 5 by a methyl group.
Last Modified24 June 2021
DownloadsMolfile
FormulaC6H6O3
Net Charge0
Average Mass126.111
Monoisotopic Mass126.03169
SMILESCc1ccc(C(=O)O)o1
InChIInChI=1S/C6H6O3/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3,(H,7,8)
InChIKeyOVOCLWJUABOAPL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (2338430)
Rattus norvegicus (ncbitaxon:10116) urine (BTO:0001419) PubMed (19035407) Identified in the urine of Sprague-Dawley rats.
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
rat metabolite  Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
5-methylfuran-2-carboxylic acid (CHEBI:89918) has role human urinary metabolite (CHEBI:84087)
5-methylfuran-2-carboxylic acid (CHEBI:89918) has role rat metabolite (CHEBI:86264)
5-methylfuran-2-carboxylic acid (CHEBI:89918) is a furoic acid (CHEBI:36055)
IUPAC Name 
5-methylfuran-2-carboxylic acid
Synonyms  Source
5-methylpyromucic acidChemIDplus
5-methyl-2-furoic acidChEBI
5-methyl-2-furancarboxylic acidChEBI
Manual XrefsDatabases
HMDB0059735HMDB
2K1PDBeChem
67283ChemSpider
WO2012024353Patent
Registry NumbersSources
CAS:1917-15-3ChemIDplus
Citations