Hmdb loader
Show more...Show more...Show more...
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2023-02-21 17:14:50 UTC
HMDB IDHMDB0000444
Secondary Accession Numbers
  • HMDB00444
Metabolite Identification
Common Name3-Furoic acid
Description3-Furoic acid, also known as 3-carboxyfuran or 3-furoate, belongs to the class of organic compounds known as furoic acids. These are organic compounds containing a furoic acid moiety, with a structure characterized by a furan ring bearing a carboxylic acid group at the C2 or C3 carbon atom. 3-Furoic acid has been detected, but not quantified in, several different foods, such as anatidaes (Anatidae), asparagus (Asparagus officinalis), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make 3-furoic acid a potential biomarker for the consumption of these foods. 3-Furoic acid is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review a significant number of articles have been published on 3-Furoic acid.
Structure
Thumb
Synonyms
ValueSource
3-CarboxyfuranChEBI
3-Furancarboxylic acidChEBI
3-FurancarboxylateGenerator
3-FuroateGenerator
3-FuranoateHMDB
3-Furanoic acidHMDB
Chemical FormulaC5H4O3
Average Molecular Weight112.0835
Monoisotopic Molecular Weight112.016043994
IUPAC Namefuran-3-carboxylic acid
Traditional Name3-furoic acid
CAS Registry Number488-93-7
SMILES
OC(=O)C1=COC=C1
InChI Identifier
InChI=1S/C5H4O3/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7)
InChI KeyIHCCAYCGZOLTEU-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as furoic acids. These are organic compounds containing a furoic acid moiety, with a structure characterized by a furan ring bearing a carboxylic acid group at the C2 or C3 carbon atom.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassFurans
Sub ClassFuroic acid and derivatives
Direct ParentFuroic acids
Alternative Parents
Substituents
  • Furan-3-carboxylic acid
  • Furan-3-carboxylic acid or derivatives
  • Furoic acid
  • Heteroaromatic compound
  • Oxacycle
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point120 - 122 °CNot Available
Boiling Point229.00 to 230.00 °C. @ 760.00 mm Hg (est)The Good Scents Company Information System
Water Solubility64 mg/mLNot Available
LogP1.03HANSCH,C ET AL. (1995)
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB022049
KNApSAcK IDNot Available
Chemspider ID9849
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia Link2-Furoic acid
METLIN ID5433
PubChem Compound10268
PDB IDNot Available
ChEBI ID30846
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1044231
References
Synthesis ReferenceGhosh, A.; Raha, C. R. Synthesis of 3-furoic acid. Indian Chem. Soc. (1954), 31 461-2.
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Tunaru S, Kero J, Schaub A, Wufka C, Blaukat A, Pfeffer K, Offermanns S: PUMA-G and HM74 are receptors for nicotinic acid and mediate its anti-lipolytic effect. Nat Med. 2003 Mar;9(3):352-5. Epub 2003 Feb 3. [PubMed:12563315 ]
  2. Liebich HM, Forst C: Basic profiles of organic acids in urine. J Chromatogr. 1990 Jan 26;525(1):1-14. [PubMed:2338430 ]
  3. Nozal MJ, Bernal JL, Toribio L, Jimenez JJ, Martin MT: High-performance liquid chromatographic determination of methyl anthranilate, hydroxymethylfurfural and related compounds in honey. J Chromatogr A. 2001 May 11;917(1-2):95-103. [PubMed:11403496 ]