EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C5H8O5 |
| Net Charge | 0 |
| Average Mass | 148.114 |
| Monoisotopic Mass | 148.03717 |
| SMILES | C[C@H](C(=O)O)[C@@H](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)/t2-,3+/m0/s1 |
| InChIKey | NPYQJIHHTGFBLN-STHAYSLISA-N |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). 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) |
| D-erythro-3-methylmalic acid (CHEBI:27394) is a erythro-3-methylmalic acid (CHEBI:23948) |
| D-erythro-3-methylmalic acid (CHEBI:27394) is conjugate acid of D-erythro-3-methylmalate(2−) (CHEBI:58511) |
| D-erythro-3-methylmalic acid (CHEBI:27394) is enantiomer of L-erythro-3-methylmalic acid (CHEBI:50787) |
| Incoming Relation(s) |
| D-erythro-3-methylmalate(2−) (CHEBI:58511) is conjugate base of D-erythro-3-methylmalic acid (CHEBI:27394) |
| L-erythro-3-methylmalic acid (CHEBI:50787) is enantiomer of D-erythro-3-methylmalic acid (CHEBI:27394) |
| IUPAC Name |
|---|
| (2R,3S)-2-hydroxy-3-methylbutanedioic acid |
| Synonyms | Source |
|---|---|
| D-erythro-3-Methylmalate | KEGG COMPOUND |
| (2R,3S)-3-Methylmalate | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C06032 | KEGG COMPOUND |
| Registry Numbers | Sources |
|---|---|
| Beilstein:2413502 | Beilstein |