V08
Summary
| Name: | (2 {R},3 {S})-3-methanoyl-4-methyl-2-hydroxy-pentanoic acid |
| Formula: | C7 H12 O4 |
| Formal charge: | 0 |
| Formula weight: | 160.168 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{S})-3-methanoyl-4-methyl-2-oxidanyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H12O4/c1-4(2)5(3-8)6(9)7(10)11/h3-6,9H,1-2H3,(H,10,11)/t5-,6+/m0/s1 |
| InChIKey | InChI | 1.03 | YIJPJSMEWHRJCU-NTSWFWBYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@H](C=O)[C@@H](O)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)[CH](C=O)[CH](O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)[C@H](C=O)[C@H](C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C(C=O)C(C(=O)O)O |
