BioLiP

PDB

BioLiP

PDB CCD ID:

RD3

Number of entries in BioLiP:

Chemical formula:

C7 H11 O10 P3

InChI:

InChI=1S/C7H11O10P3/c8-18(9,10)7(19(11,12)13)5-1-3-6(4-2-5)17-20(14,15)16/h1-4,7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)

InChIKey:

UEGWOUOGLFXILR-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[P](O)(=O)Oc1ccc(cc1)C([P](O)(O)=O)[P](O)(O)=O
ACDLabs 12.01	C(c1ccc(cc1)OP(=O)(O)O)(P(=O)(O)O)P(=O)(O)O
OpenEye OEToolkits 2.0.6	c1cc(ccc1C(P(=O)(O)O)P(=O)(O)O)OP(=O)(O)O

Name:

{[4-(phosphonooxy)phenyl]methylene}bis(phosphonic acid)

ChEMBL:

CHEMBL4300669

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).