FLC
Summary
| Name: | CITRATE ANION |
| Formula: | C6 H5 O7 |
| Formal charge: | -3 |
| Formula weight: | 189.1 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-hydroxypropane-1,2,3-tricarboxylate |
| OpenEye OEToolkits | 1.5.0 | 2-hydroxypropane-1,2,3-tricarboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C([O-])CC(O)(C([O-])=O)CC(=O)[O-] |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(CC([O-])=O)(CC([O-])=O)C([O-])=O |
| SMILES | CACTVS | 3.341 | OC(CC([O-])=O)(CC([O-])=O)C([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O |
| InChI | InChI | 1.03 | InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3 |
| InChIKey | InChI | 1.03 | KRKNYBCHXYNGOX-UHFFFAOYSA-K |
