BioLiP

PDB

BioLiP

PDB CCD ID:

TQV

Number of entries in BioLiP:

Chemical formula:

C14 H15 O5 P

InChI:

InChI=1S/C14H15O5P/c1-11-6-2-5-9-14(11)19-20(16,17)18-10-12-7-3-4-8-13(12)15/h2-9,15H,10H2,1H3,(H,16,17)

InChIKey:

IZFXZRKTLPZKSA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	Cc1ccccc1OP(=O)(O)OCc2ccccc2O
CACTVS 3.385	Cc1ccccc1O[P](O)(=O)OCc2ccccc2O
ACDLabs 12.01	O=P(O)(Oc1ccccc1C)OCc2ccccc2O

Name:

O-CRESYL-SALIGENIN PHOSPHATE

ZINC:

ZINC000098209463

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).