THE
Summary
| Name: | THREONATE ION |
| Formula: | C4 H7 O5 |
| Formal charge: | -1 |
| Formula weight: | 135.095 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S,3R)-2,3,4-trihydroxybutanoate |
| OpenEye OEToolkits | 1.5.0 | (2S,3R)-2,3,4-trihydroxybutanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-]C(=O)C(O)C(O)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@@H](O)[C@H](O)C([O-])=O |
| SMILES | CACTVS | 3.341 | OC[CH](O)[CH](O)C([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@H]([C@@H](C(=O)[O-])O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C(C(=O)[O-])O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/p-1/t2-,3+/m1/s1 |
| InChIKey | InChI | 1.03 | JPIJQSOTBSSVTP-GBXIJSLDSA-M |
