CHEBI:30846 - 3-furoic acid

ChEBI IDCHEBI:30846
ChEBI Name3-furoic acid
Stars
DefinitionA furoic acid carrying the carboxy group at position 3.
Last Modified16 July 2015
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC5H4O3
Net Charge0
Average Mass112.084
Monoisotopic Mass112.01604
SMILESO=C(O)c1ccoc1
InChIInChI=1S/C5H4O3/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7)
InChIKeyIHCCAYCGZOLTEU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (2338430) urine samples
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
3-furoic acid (CHEBI:30846) has role human metabolite (CHEBI:77746)
3-furoic acid (CHEBI:30846) is a furoic acid (CHEBI:36055)
3-furoic acid (CHEBI:30846) is conjugate acid of 3-furoate (CHEBI:30847)
Incoming Relation(s)
1S,6R-di(2-)methylbutanoyloxy-4S-hydroxy-8S-benzoyloxy-9R-(3-)furancarbonyloxy-13-acetyloxy-β-dihydroagarofuran (CHEBI:65878) has functional parent 3-furoic acid (CHEBI:30846)
2-methyl-N-(3-pyridinylmethylideneamino)-3-furancarboxamide (CHEBI:108439) has functional parent 3-furoic acid (CHEBI:30846)
2-methyl-N-[(5-methyl-2-furanyl)methylideneamino]-3-furancarboxamide (CHEBI:117219) has functional parent 3-furoic acid (CHEBI:30846)
2-methyl-N-[1-(3-pyridinyl)ethylideneamino]-3-furancarboxamide (CHEBI:119775) has functional parent 3-furoic acid (CHEBI:30846)
2,5-dimethyl-N-[(phenylmethylene)amino]-3-furancarboxamide (CHEBI:121994) has functional parent 3-furoic acid (CHEBI:30846)
5-(tert-butyl)-2-methyl-N-(5-methyl-3-isoxazolyl)-3-furamide (CHEBI:183329) has functional parent 3-furoic acid (CHEBI:30846)
N-[(2-bromo-3-phenylprop-2-enylidene)amino]-2,5-dimethyl-3-furancarboxamide (CHEBI:105201) has functional parent 3-furoic acid (CHEBI:30846)
orbiculin D (CHEBI:66825) has functional parent 3-furoic acid (CHEBI:30846)
orbiculin E (CHEBI:66826) has functional parent 3-furoic acid (CHEBI:30846)
orbiculin F (CHEBI:66827) has functional parent 3-furoic acid (CHEBI:30846)
orbiculin H (CHEBI:66829) has functional parent 3-furoic acid (CHEBI:30846)
orbiculin I (CHEBI:66830) has functional parent 3-furoic acid (CHEBI:30846)
3-furoate (CHEBI:30847) is conjugate base of 3-furoic acid (CHEBI:30846)
IUPAC Name 
furan-3-carboxylic acid
Synonyms  Source
3-furoic acidIUPAC
3-furancarboxylic acidNIST Chemistry WebBook
3-carboxyfuranChEBI
Manual XrefsDatabases
HMDB0000444HMDB
Registry NumbersSources
Gmelin:675135Gmelin
Reaxys:108638Reaxys
CAS:488-93-7ChemIDplus
CAS:488-93-7NIST Chemistry WebBook
Citations