EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C7H8O4 |
| Net Charge | 0 |
| Average Mass | 156.137 |
| Monoisotopic Mass | 156.04226 |
| SMILES | CC(=O)/C=C/C=C(\O)C(=O)O |
| InChI | InChI=1S/C7H8O4/c1-5(8)3-2-4-6(9)7(10)11/h2-4,9H,1H3,(H,10,11)/b3-2+,6-4- |
| InChIKey | HVZGWILTESYJSP-ZPYFUIHZSA-N |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | bacterial xenobiotic metabolite Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2Z,4E)-2-hydroxy-6-oxohepta-2,4-dienoic acid (CHEBI:144513) is a 2-hydroxy-6-oxo-2,4-heptadienoic acid (CHEBI:90886) |
| (2Z,4E)-2-hydroxy-6-oxohepta-2,4-dienoic acid (CHEBI:144513) is conjugate acid of (2Z,4E)-2-hydroxy-6-oxohepta-2,4-dienoate (CHEBI:144490) |
| Incoming Relation(s) |
| (2Z,4E)-2-hydroxy-6-oxohepta-2,4-dienoate (CHEBI:144490) is conjugate base of (2Z,4E)-2-hydroxy-6-oxohepta-2,4-dienoic acid (CHEBI:144513) |
| IUPAC Name |
|---|
| (2Z,4E)-2-hydroxy-6-oxohepta-2,4-dienoic acid |
| Manual Xrefs | Databases |
|---|---|
| CPD-8782 | MetaCyc |
| Citations |
|---|