PDB CCD ID: | CP5 |
Number of entries in BioLiP: | 1 |
Chemical formula: | C9 H6 O5 P |
InChI: | InChI=1S/C9H7O5P/c10-9(11)8(6-14-15(12)13)7-4-2-1-3-5-7/h1-6H,(H,10,11)/p-1/b8-6- |
InChIKey: | WSMRUPUEYOBWRC-VURMDHGXSA-M |
SMILES: | Software | SMILES |
---|
ACDLabs 10.04 | O=C([O-])\C(=C/OP(=O)=O)c1ccccc1 | CACTVS 3.385 | [O-]C(=O)C(=CO[P](=O)=O)c1ccccc1 | OpenEye OEToolkits 1.7.5 | c1ccc(cc1)/C(=C/OP(=O)=O)/C(=O)[O-] | CACTVS 3.385 | [O-]C(=O)C(=C\O[P](=O)=O)/c1ccccc1 | OpenEye OEToolkits 1.7.5 | c1ccc(cc1)C(=COP(=O)=O)C(=O)[O-] |
|
Name: | (2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-2-PHENYLACRYLATE |
DrugBank: | DB02514 |