BioLiP

PDB

BioLiP

PDB CCD ID:

QMP

Number of entries in BioLiP:

Chemical formula:

C7 H15 O3 P

InChI:

InChI=1S/C7H15O3P/c1-11(8,9)10-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,8,9)

InChIKey:

SWYGLBJVTQMYSE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CP(=O)(O)OC1CCCCC1
ACDLabs 12.01	O=P(O)(OC1CCCCC1)C
CACTVS 3.370	C[P](O)(=O)OC1CCCCC1

Name:

cyclohexyl methylphosphonate

ZINC:

ZINC000006068355

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).