PMV
Summary
| Name: | (3R)-3-HYDROXY-3-METHYL-5-(PHOSPHONOOXY)PENTANOIC ACID |
| Synonyms: | PHOSPHOMEVALONATE |
| Formula: | C6 H13 O7 P |
| Formal charge: | 0 |
| Formula weight: | 228.137 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3R)-3-hydroxy-3-methyl-5-(phosphonooxy)pentanoic acid |
| OpenEye OEToolkits | 1.5.0 | (3R)-3-hydroxy-3-methyl-5-phosphonooxy-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OCCC(O)(C)CC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@](O)(CCO[P](O)(O)=O)CC(O)=O |
| SMILES | CACTVS | 3.341 | C[C](O)(CCO[P](O)(O)=O)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@](CCOP(=O)(O)O)(CC(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(CCOP(=O)(O)O)(CC(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H13O7P/c1-6(9,4-5(7)8)2-3-13-14(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H2,10,11,12)/t6-/m1/s1 |
| InChIKey | InChI | 1.03 | OKZYCXHTTZZYSK-ZCFIWIBFSA-N |
