BioLiP

PDB

BioLiP

PDB CCD ID:

CP5

Number of entries in BioLiP:

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

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).