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CHEBI:142525 - 3-hydroxybutane-1,2,3-tricarboxylic acid
| Formula | C7H10O7 |
| Net Charge | 0 |
| Average Mass | 206.150 |
| Monoisotopic Mass | 206.04265 |
| SMILES | CC(O)(C(=O)O)C(CC(=O)O)C(=O)O |
| InChI | InChI=1S/C7H10O7/c1-7(14,6(12)13)3(5(10)11)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13) |
| InChIKey | HHKPKXCSHMJWCF-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-hydroxybutane-1,2,3-tricarboxylic acid (CHEBI:142525) is a methylisocitric acid (CHEBI:25311) |
| 3-hydroxybutane-1,2,3-tricarboxylic acid (CHEBI:142525) is a tertiary alcohol (CHEBI:26878) |
| 3-hydroxybutane-1,2,3-tricarboxylic acid (CHEBI:142525) is a tricarboxylic acid (CHEBI:27093) |
| 3-hydroxybutane-1,2,3-tricarboxylic acid (CHEBI:142525) is conjugate acid of 3-hydroxybutane-1,2,3-tricarboxylate (CHEBI:141790) |
| Incoming Relation(s) |
| (2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid (CHEBI:15607) is a 3-hydroxybutane-1,2,3-tricarboxylic acid (CHEBI:142525) |
| 3-hydroxybutane-1,2,3-tricarboxylate (CHEBI:141790) is conjugate base of 3-hydroxybutane-1,2,3-tricarboxylic acid (CHEBI:142525) |
| IUPAC Name |
|---|
| 3-hydroxybutane-1,2,3-tricarboxylic acid |
| Synonyms | Source |
|---|---|
| 3-carboxy-2,3-dideoxy-4-C-methylpentaric acid | IUPAC |
| α-methylisocitric acid | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1712822 | Reaxys |