BioLiP

PDB

BioLiP

PDB CCD ID:

DOP

Number of entries in BioLiP:

Chemical formula:

C16 H35 O4 P

InChI:

InChI=1S/C16H35O4P/c1-3-5-7-9-11-13-15-19-21(17,18)20-16-14-12-10-8-6-4-2/h3-16H2,1-2H3,(H,17,18)

InChIKey:

HTDKEJXHILZNPP-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 2.87	CCCCCCCCOP(O)(=O)OCCCCCCCC
OpenEye OEToolkits 1.5.0	CCCCCCCCOP(=O)(O)OCCCCCCCC

Name:

DIOCTYLPHOSPHATE

ZINC:

ZINC000058631779

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).