EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
We are looking for a new Chemistry curator to join the ChEBI team. Find out more about it here.
CHEBI:28710 - 3-hydroxy-3-methyl-2-oxopentanoic acid
| Formula | C6H10O4 |
| Net Charge | 0 |
| Average Mass | 146.142 |
| Monoisotopic Mass | 146.05791 |
| SMILES | CCC(C)(O)C(=O)C(=O)O |
| InChI | InChI=1S/C6H10O4/c1-3-6(2,10)4(7)5(8)9/h10H,3H2,1-2H3,(H,8,9) |
| InChIKey | YJVOWRAWFXRESP-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) |
| 3-hydroxy-3-methyl-2-oxopentanoic acid (CHEBI:28710) has functional parent valeric acid (CHEBI:17418) |
| 3-hydroxy-3-methyl-2-oxopentanoic acid (CHEBI:28710) is a 2-oxo monocarboxylic acid (CHEBI:35910) |
| 3-hydroxy-3-methyl-2-oxopentanoic acid (CHEBI:28710) is a 3-hydroxy monocarboxylic acid (CHEBI:35969) |
| 3-hydroxy-3-methyl-2-oxopentanoic acid (CHEBI:28710) is a hydroxy fatty acid (CHEBI:24654) |
| 3-hydroxy-3-methyl-2-oxopentanoic acid (CHEBI:28710) is a oxo fatty acid (CHEBI:59644) |
| 3-hydroxy-3-methyl-2-oxopentanoic acid (CHEBI:28710) is a tertiary α-hydroxy ketone (CHEBI:139592) |
| 3-hydroxy-3-methyl-2-oxopentanoic acid (CHEBI:28710) is conjugate acid of 3-hydroxy-3-methyl-2-oxopentanoate (CHEBI:53338) |
| Incoming Relation(s) |
| (R)-3-hydroxy-3-methyl-2-oxopentanoic acid (CHEBI:34008) is a 3-hydroxy-3-methyl-2-oxopentanoic acid (CHEBI:28710) |
| (S)-3-hydroxy-3-methyl-2-oxopentanoic acid (CHEBI:53335) is a 3-hydroxy-3-methyl-2-oxopentanoic acid (CHEBI:28710) |
| 3-hydroxy-3-methyl-2-oxopentanoate (CHEBI:53338) is conjugate base of 3-hydroxy-3-methyl-2-oxopentanoic acid (CHEBI:28710) |
| IUPAC Name |
|---|
| 3-hydroxy-3-methyl-2-oxopentanoic acid |
| Synonyms | Source |
|---|---|
| 3-Hydroxy-3-methyl-2-oxopentanoate | KEGG COMPOUND |
| 3-Hydroxy-3-methyl-2-oxopentanoic acid | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C04237 | KEGG COMPOUND |
| LMFA01020278 | LIPID MAPS |