HCA
Summary
| Name: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID |
| Formula: | C7 H10 O7 |
| Formal charge: | 0 |
| Formula weight: | 206.15 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-2-hydroxybutane-1,2,4-tricarboxylic acid |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-hydroxybutane-1,2,4-tricarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CC(O)(C(=O)O)CCC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CC[C@@](O)(CC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | OC(=O)CC[C](O)(CC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CC(CC(=O)O)(C(=O)O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H10O7/c8-4(9)1-2-7(14,6(12)13)3-5(10)11/h14H,1-3H2,(H,8,9)(H,10,11)(H,12,13)/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | XKJVEVRQMLKSMO-SSDOTTSWSA-N |
