Showing Metabocard for D-threo-isocitrate (BASm0000366)
| Common Name | D-threo-isocitrate |
|---|---|
| Description | D-threo-Isocitric acid, also known as isocitrate or isocitrIC ACID, belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. D-threo-Isocitric acid exists in all living species, ranging from bacteria to humans. D-threo-Isocitric acid has been detected, but not quantified in several different foods, such as citrus, fruits, common beans, green beans, and yellow wax beans. |
| Structure | |
| Molecular Formula | C6H8O7 |
| Average Mass | 192.12350 |
| Monoisotopic Mass | 192.02700 |
| IUPAC Name | (1R,2S)-1-hydroxypropane-1,2,3-tricarboxylic acid |
| Traditional Name | Isocitric acid |
| CAS Registry Number | 6061-97-8 |
| SMILES | O=C([O-])C[C@H](C(=O)[O-])[C@@H](O)C(=O)[O-] |
| InChI Identifier | InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/t2-,4+/m0/s1 |
| InChI Key | ODBLHEXUDAPZAU-ZAFYKAAXSA-N |
| CHEBI ID | CHEBI:15562 |
| HMDB ID | HMDB0001874 |
| State | Solid |
| Water Solubility | 5.25e+01 g/l |
| logP | -0.35 |
| logS | -0.56 |
| pKa (Strongest Acidic) | 3.07 |
| pKa (Strongest Basic) | -4.02 |
| Hydrogen Acceptor Count | 7 |
| Hydrogen Donor Count | 4 |
| Polar Surface Area | 132.13 Ų |
| Rotatable Bond Count | 5 |
| Physiological Charge | -3 |
| Formal Charge | 0 |
| Refractivity | 35.72 m³·mol⁻¹ |
| Polarizability | 15.54 |