PEP
Summary
Name: | PHOSPHOENOLPYRUVATE |
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-(phosphonooxy)prop-2-enoic acid |
OpenEye OEToolkits | 1.5.0 | 2-phosphonooxyprop-2-enoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(\OP(=O)(O)O)=C |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)C(=C)O[P](O)(O)=O |
SMILES | CACTVS | 3.341 | OC(=O)C(=C)O[P](O)(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C=C(C(=O)O)OP(=O)(O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C=C(C(=O)O)OP(=O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8) |
InChIKey | InChI | 1.03 | DTBNBXWJWCWCIK-UHFFFAOYSA-N |