EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C8H10O8 |
| Net Charge | 0 |
| Average Mass | 234.160 |
| Monoisotopic Mass | 234.03757 |
| SMILES | CC(=O)OC(=O)CC(O)(CC(=O)O)C(=O)O |
| InChI | InChI=1S/C8H10O8/c1-4(9)16-6(12)3-8(15,7(13)14)2-5(10)11/h15H,2-3H2,1H3,(H,10,11)(H,13,14) |
| InChIKey | WWXUGNUFCNYMFK-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | urine (BTO:0001419) | PubMed (22624806) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Acetyl citrate (CHEBI:89658) is a acetate ester (CHEBI:47622) |
| Synonyms | Source |
|---|---|
| 2-(2-acetyloxy-2-oxoethyl)-2-hydroxybutanedioate | HMDB |
| 2-[2-(acetyloxy)-2-oxoethyl]-2-hydroxybutanedioate | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0059808 | HMDB |
| Citations |
|---|