LMR
Summary
| Name: | (2S)-2-hydroxybutanedioic acid |
| Synonyms: | L-Malate |
| Formula: | C4 H6 O5 |
| Formal charge: | 0 |
| Formula weight: | 134.087 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-hydroxybutanedioic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-hydroxybutanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CC(O)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@@H](CC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | O[CH](CC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H](C(=O)O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C(=O)O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1 |
| InChIKey | InChI | 1.03 | BJEPYKJPYRNKOW-REOHCLBHSA-N |
