EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:19338 - 2,4,6-trioxoheptanoate
| Formula | C7H7O5 |
| Net Charge | -1 |
| Average Mass | 171.128 |
| Monoisotopic Mass | 171.02990 |
| SMILES | CC(=O)CC(=O)CC(=O)C(=O)[O-] |
| InChI | InChI=1S/C7H8O5/c1-4(8)2-5(9)3-6(10)7(11)12/h2-3H2,1H3,(H,11,12)/p-1 |
| InChIKey | VAKFRAZWNDUNDE-UHFFFAOYSA-M |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2,4,6-trioxoheptanoate (CHEBI:19338) has functional parent heptanoate (CHEBI:32362) |
| 2,4,6-trioxoheptanoate (CHEBI:19338) is a trioxo monocarboxylic acid anion (CHEBI:35980) |
| 2,4,6-trioxoheptanoate (CHEBI:19338) is conjugate base of 2,4,6-trioxoheptanoic acid (CHEBI:36554) |
| Incoming Relation(s) |
| 2,4,6-trioxoheptanoic acid (CHEBI:36554) is conjugate acid of 2,4,6-trioxoheptanoate (CHEBI:19338) |
| UniProt Name | Source |
|---|---|
| 2,4,6-trioxoheptanoate | UniProt |
| Manual Xrefs | Databases |
|---|---|
| c0157 | UM-BBD |