EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C7H10O6 |
| Net Charge | 0 |
| Average Mass | 190.151 |
| Monoisotopic Mass | 190.04774 |
| SMILES | O=C(O)CCC(O)C=C(O)C(=O)O |
| InChI | InChI=1S/C7H10O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h3-4,8-9H,1-2H2,(H,10,11)(H,12,13) |
| InChIKey | APNIDHDQYISZAE-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2,4-dihydroxyhept-2-enedioic acid (CHEBI:915) is a heptenedioic acid (CHEBI:24522) |
| 2,4-dihydroxyhept-2-enedioic acid (CHEBI:915) is conjugate acid of 2,4-dihydroxyhept-2-enedioate (CHEBI:58936) |
| 2,4-dihydroxyhept-2-enedioic acid (CHEBI:915) is tautomer of 4-hydroxy-2-oxoheptanedioic acid (CHEBI:73089) |
| Incoming Relation(s) |
| 2,4-dihydroxyhept-2-enedioate (CHEBI:58936) is conjugate base of 2,4-dihydroxyhept-2-enedioic acid (CHEBI:915) |
| 4-hydroxy-2-oxoheptanedioic acid (CHEBI:73089) is tautomer of 2,4-dihydroxyhept-2-enedioic acid (CHEBI:915) |
| IUPAC Name |
|---|
| 2,4-dihydroxyhept-2-enedioic acid |
| Synonyms | Source |
|---|---|
| 2,4-Dihydroxyhept-2-enedioate | KEGG COMPOUND |
| 2,4-Dihydroxyhept-2-enedioic acid | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C06201 | KEGG COMPOUND |
| LMFA01170062 | LIPID MAPS |