BioLiP

PDB

BioLiP

PDB CCD ID:

BOY

Number of entries in BioLiP:

Chemical formula:

C8 H11 O4 P

InChI:

InChI=1S/C8H11O4P/c1-6-2-4-7(5-3-6)8(9)13(10,11)12/h2-5,8-9H,1H3,(H2,10,11,12)/t8-/m1/s1

InChIKey:

AFOAUCXHAIELNA-MRVPVSSYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1ccc(cc1)[C@H](O)[P](O)(O)=O
ACDLabs 12.01	Cc1ccc(cc1)C(P(O)(O)=O)O
OpenEye OEToolkits 2.0.6	Cc1ccc(cc1)[C@H](O)P(=O)(O)O
CACTVS 3.385	Cc1ccc(cc1)[CH](O)[P](O)(O)=O
OpenEye OEToolkits 2.0.6	Cc1ccc(cc1)C(O)P(=O)(O)O

Name:

[(R)-hydroxy(4-methylphenyl)methyl]phosphonic acid

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).