CHEBI:30846 - 3-furoic acid

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ChEBI Name 3-furoic acid ChEBI ID CHEBI:30846 Definition A furoic acid carrying the carboxy group at position 3. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C5H4O3 Net Charge 0 Average Mass 112.08346 Monoisotopic Mass 112.01604 InChI InChI=1S/C5H4O3/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7) InChIKey IHCCAYCGZOLTEU-UHFFFAOYSA-N SMILES OC(=O)c1ccoc1 Metabolite of Species Details Homo sapiens (NCBI:txid9606) urine samples See: PubMed Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing 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 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) 2,5-dimethyl-N-[(phenylmethylene)amino]-3-furancarboxamide (CHEBI:121994) 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) 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 Sources 3-carboxyfuran ChEBI 3-furancarboxylic acid NIST Chemistry WebBook 3-furoic acid IUPAC Manual Xref Database HMDB0000444 HMDB View more database links Registry Numbers Types Sources 108638 Beilstein Registry Number Beilstein 108638 Reaxys Registry Number Reaxys 488-93-7 CAS Registry Number NIST Chemistry WebBook 488-93-7 CAS Registry Number ChemIDplus 675135 Gmelin Registry Number Gmelin Citation Type Source 2338430 PubMed citation Europe PMC Last Modified 16 July 2015