BioLiP

PDB

BioLiP

PDB CCD ID:

4OJ

Number of entries in BioLiP:

Chemical formula:

C7 H9 O4 P

InChI:

InChI=1S/C7H9O4P/c1-6-4-2-3-5-7(6)11-12(8,9)10/h2-5H,1H3,(H2,8,9,10)

InChIKey:

HUJOGFUFUMBXPL-UHFFFAOYSA-N

SMILES:

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

Name:

(2-methylphenyl) dihydrogen phosphate;
o-cresyl-phosphate

ZINC:

ZINC000039189548

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).