EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C5H8O3 |
| Net Charge | 0 |
| Average Mass | 116.116 |
| Monoisotopic Mass | 116.04734 |
| SMILES | CCCC(=O)C(=O)O |
| InChI | InChI=1S/C5H8O3/c1-2-3-4(6)5(7)8/h2-3H2,1H3,(H,7,8) |
| InChIKey | KDVFRMMRZOCFLS-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-oxopentanoic acid (CHEBI:33033) has role human metabolite (CHEBI:77746) |
| 2-oxopentanoic acid (CHEBI:33033) is a 2-oxo monocarboxylic acid (CHEBI:35910) |
| 2-oxopentanoic acid (CHEBI:33033) is a oxopentanoic acid (CHEBI:25799) |
| 2-oxopentanoic acid (CHEBI:33033) is conjugate acid of 2-oxopentanoate (CHEBI:28644) |
| Incoming Relation(s) |
| 2-oxopentanoate (CHEBI:28644) is conjugate base of 2-oxopentanoic acid (CHEBI:33033) |
| IUPAC Name |
|---|
| 2-oxopentanoic acid |
| Synonyms | Source |
|---|---|
| 2-ketopentanoic acid | ChemIDplus |
| 2-oxovaleric acid | ChemIDplus |
| α-ketovaleric acid | ChEBI |
| alpha-Ketovaleric acid | KEGG COMPOUND |
| 2-Oxopentanoic acid | KEGG COMPOUND |
| 2-Oxovalerate | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C06255 | KEGG COMPOUND |
| LMFA01060004 | LIPID MAPS |
| HMDB0001865 | HMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:635884 | Reaxys |
| CAS:1821-02-9 | ChemIDplus |
| CAS:1821-02-9 | KEGG COMPOUND |
| Citations |
|---|