HBU
Summary
| Name: | 4-[HYDROXY-[METHYL-PHOSPHINOYL]]-3-OXO-BUTANOIC ACID |
| Formula: | C5 H9 O5 P |
| Formal charge: | 0 |
| Formula weight: | 180.096 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-[(R)-hydroxy(methyl)phosphoryl]-3-oxobutanoic acid |
| OpenEye OEToolkits | 1.5.0 | 4-(hydroxy-methyl-phosphoryl)-3-oxo-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(CC(=O)O)CP(=O)(O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[P@](O)(=O)CC(=O)CC(O)=O |
| SMILES | CACTVS | 3.341 | C[P](O)(=O)CC(=O)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[P@](=O)(CC(=O)CC(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CP(=O)(CC(=O)CC(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H9O5P/c1-11(9,10)3-4(6)2-5(7)8/h2-3H2,1H3,(H,7,8)(H,9,10) |
| InChIKey | InChI | 1.03 | MZTALSPOBPYJPG-UHFFFAOYSA-N |
