EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C7H8O5 |
| Net Charge | 0 |
| Average Mass | 172.136 |
| Monoisotopic Mass | 172.03717 |
| SMILES | O=C(O)CC/C=C\C(=O)C(=O)O |
| InChI | InChI=1S/C7H8O5/c8-5(7(11)12)3-1-2-4-6(9)10/h1,3H,2,4H2,(H,9,10)(H,11,12)/b3-1- |
| InChIKey | HYVSZVZMTYIHKF-IWQZZHSRSA-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) |
| cis-2-oxohept-3-enedioic acid (CHEBI:1254) is a 2-oxohept-3-enedioic acid (CHEBI:48061) |
| IUPAC Name |
|---|
| (3Z)-2-oxohept-3-enedioic acid |
| Synonyms | Source |
|---|---|
| 2-Oxohept-3-ene-1,7-dioate | KEGG COMPOUND |
| 2-Oxohept-3-enedioate | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C03063 | KEGG COMPOUND |