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CHEBI:15607 - (2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid
| Formula | C7H10O7 |
| Net Charge | 0 |
| Average Mass | 206.150 |
| Monoisotopic Mass | 206.04265 |
| SMILES | C[C@](O)(C(=O)O)[C@H](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)/t3-,7-/m1/s1 |
| InChIKey | HHKPKXCSHMJWCF-WVBDSBKLSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Escherichia coli (ncbitaxon:562) | - | PubMed (21988831) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid (CHEBI:15607) has role Escherichia coli metabolite (CHEBI:76971) |
| (2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid (CHEBI:15607) is a 3-hydroxybutane-1,2,3-tricarboxylic acid (CHEBI:142525) |
| (2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid (CHEBI:15607) is conjugate acid of (2S,3R)-3-hydroxybutane-1,2,3-tricarboxylate (CHEBI:57429) |
| Incoming Relation(s) |
| (2S,3R)-3-hydroxybutane-1,2,3-tricarboxylate (CHEBI:57429) is conjugate base of (2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid (CHEBI:15607) |
| IUPAC Name |
|---|
| (2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid |
| Synonyms | Source |
|---|---|
| (2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate | KEGG COMPOUND |
| Methylisocitric acid | KEGG COMPOUND |
| 3-carboxy-2,3-dideoxy-4-C-methyl-L-threo-pentaric acid | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| C04593 | KEGG COMPOUND |
| C04593 | KEGG COMPOUND |
| MIC | PDBeChem |
| LMFA01050444 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| CAS:71183-66-9 | PubChem Compound |