L-Isocitrate
Representations & DB's id
| ||
| ChEBI: | CHEBI:30889 | |
|---|---|---|
| ChEMBL: | CHEMBL2338331 | |
| PubChem: | 440409 | |
| IUPAC: | (1S,2R)-1-hydroxypropane-1,2,3-tricarboxylic acid | |
| Standard InChI: | 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+/m1/s1 | |
| Standard InChI Key: | ODBLHEXUDAPZAU-FONMRSAGSA-N | |
| SMILES: | OC(=O)C[C@H]([C@@H](C(=O)O)O)C(=O)O | |
Molecular propeties
| ||
| AlogP: | -1.39 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 0 | |
| Molecular Weight: | 192.03 | |
| Topological polar surface area: | 132 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.5 | |
| Number of carbons: | 6 | |