Showing Metabocard for (2S,3R)-3-hydroxybutane-1,2,3-tricarboxylate (BASm0002688)
| Common Name | (2s,3r)-3-hydroxybutane-1,2,3-tricarboxylate |
|---|---|
| Description | (2r,3s)-2-methylisocitrate, also known as methylisocitric acid or (2s,3r)-3-hydroxybutane-1,2,3-tricarboxylate, belongs to tricarboxylic acids and derivatives class of compounds. Those are carboxylic acids containing exactly three carboxyl groups (2r,3s)-2-methylisocitrate is soluble (in water) and a weakly acidic compound (based on its pKa). (2r,3s)-2-methylisocitrate can be found in a number of food items such as green zucchini, cinnamon, fig, and nanking cherry, which makes (2r,3s)-2-methylisocitrate a potential biomarker for the consumption of these food products. |
| Structure | |
| Molecular Formula | C7H7O7 |
| Average Mass | 203.12800 |
| Monoisotopic Mass | 203.02082 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | C[C@](O)(C(=O)[O-])[C@H](CC(=O)[O-])C(=O)[O-] |
| InChI Identifier | 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)/p-3/t3-,7-/m1/s1 |
| InChI Key | HHKPKXCSHMJWCF-WVBDSBKLSA-K |
| CHEBI ID | CHEBI:57429 |
| HMDB ID | HMDB0303970 |
| State | Not Available |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | Not Available |
| Polarizability | Not Available |