PPR
Summary
| Name: | PHOSPHONOPYRUVATE |
| Formula: | C3 H5 O6 P |
| Formal charge: | 0 |
| Formula weight: | 168.042 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-oxo-3-phosphonopropanoic acid |
| OpenEye OEToolkits | 1.5.0 | 2-oxo-3-phosphono-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(=O)CP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)C(=O)C[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | OC(=O)C(=O)C[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(C(=O)C(=O)O)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(=O)C(=O)O)P(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C3H5O6P/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,5,6)(H2,7,8,9) |
| InChIKey | InChI | 1.03 | CHDDAVCOAOFSLD-UHFFFAOYSA-N |
