EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
We are looking for a new Chemistry curator to join the ChEBI team. Find out more about it here.
CHEBI:30846 - 3-furoic acid
| Formula | C5H4O3 |
| Net Charge | 0 |
| Average Mass | 112.084 |
| Monoisotopic Mass | 112.01604 |
| SMILES | O=C(O)c1ccoc1 |
| InChI | InChI=1S/C5H4O3/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7) |
| InChIKey | IHCCAYCGZOLTEU-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| 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-carboxyfuran | ChEBI |
| 3-furancarboxylic acid | NIST Chemistry WebBook |
| 3-furoic acid | IUPAC |
| Manual Xrefs | Databases |
|---|---|
| HMDB0000444 | HMDB |
| Citations |
|---|