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CHEBI:25312 - 3-methylmalic acid
| Formula | C5H8O5 |
| Net Charge | 0 |
| Average Mass | 148.114 |
| Monoisotopic Mass | 148.03717 |
| SMILES | CC(C(=O)O)C(O)C(=O)O |
| InChI | InChI=1S/C5H8O5/c1-2(4(7)8)3(6)5(9)10/h2-3,6H,1H3,(H,7,8)(H,9,10) |
| InChIKey | NPYQJIHHTGFBLN-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | PubMed (24334609) |
| 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) |
| 3-methylmalic acid (CHEBI:25312) has functional parent succinic acid (CHEBI:15741) |
| 3-methylmalic acid (CHEBI:25312) has role human metabolite (CHEBI:77746) |
| 3-methylmalic acid (CHEBI:25312) is a dicarboxylic acid (CHEBI:35692) |
| 3-methylmalic acid (CHEBI:25312) is a dicarboxylic fatty acid (CHEBI:189840) |
| 3-methylmalic acid (CHEBI:25312) is conjugate acid of 3-methylmalate(2−) (CHEBI:87810) |
| Incoming Relation(s) |
| erythro-3-methylmalic acid (CHEBI:23948) is a 3-methylmalic acid (CHEBI:25312) |
| threo-3-methylmalic acid (CHEBI:26982) is a 3-methylmalic acid (CHEBI:25312) |
| 3-methylmalate(2−) (CHEBI:87810) is conjugate base of 3-methylmalic acid (CHEBI:25312) |
| IUPAC Name |
|---|
| 2-hydroxy-3-methylbutanedioic acid |
| Synonyms | Source |
|---|---|
| 2-hydroxy-3-methylsuccinic acid | ChEBI |
| β-methylmalate | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1773280 | Reaxys |
| CAS:608-41-3 | ChemIDplus |
| Citations |
|---|