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CHEBI:16739 - 2-furoate

ChEBI IDCHEBI:16739
ChEBI Name2-furoate
Stars
DefinitionA furancarboxylate that is the conjugate base of 2-furoic acid.
Secondary ChEBI IDsCHEBI:11577, CHEBI:19582
Last Modified10 February 2017
DownloadsMolfile
FormulaC5H3O3
Net Charge-1
Average Mass111.076
Monoisotopic Mass111.00877
SMILESO=C([O-])c1ccco1
InChIInChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)/p-1
InChIKeySMNDYUVBFMFKNZ-UHFFFAOYSA-M
Roles Classification
Biological Roles:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
ChEBI Ontology
Outgoing Relation(s)
2-furoate (CHEBI:16739) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
2-furoate (CHEBI:16739) has role bacterial xenobiotic metabolite (CHEBI:76976)
2-furoate (CHEBI:16739) has role human xenobiotic metabolite (CHEBI:76967)
2-furoate (CHEBI:16739) is a furancarboxylate (CHEBI:36056)
2-furoate (CHEBI:16739) is conjugate base of 2-furoic acid (CHEBI:30845)
Incoming Relation(s)
2-furoic acid (CHEBI:30845) is conjugate acid of 2-furoate (CHEBI:16739)
IUPAC Name 
furan-2-carboxylate
UniProt Name  Source
2-furoateUniProt
Manual XrefsDatabases
C01546KEGG COMPOUND
Registry NumbersSources
Gmelin:326316Gmelin
Beilstein:1366018Beilstein