BioLiP

PDB

BioLiP

PDB CCD ID:

2HD

Number of entries in BioLiP:

Chemical formula:

C19 H41 O4 P

InChI:

InChI=1S/C19H41O4P/c1-4-7-10-11-12-13-16-24(20)23-18-19(22-15-9-6-3)17-21-14-8-5-2/h19,24H,4-18H2,1-3H3/t19-/m1/s1

InChIKey:

NQMHEQXQHWVUHF-LJQANCHMSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CCCCCCCCP(=O)OCC(COCCCC)OCCCC
CACTVS 3.385	CCCCCCCC[P@H](=O)OC[C@@H](COCCCC)OCCCC
CACTVS 3.385	CCCCCCCC[PH](=O)OC[CH](COCCCC)OCCCC
ACDLabs 12.01	O=P(OCC(OCCCC)COCCCC)CCCCCCCC
OpenEye OEToolkits 1.7.6	CCCCCCCC[P@@H](=O)OC[C@@H](COCCCC)OCCCC

Name:

(2R)-2,3-dibutoxypropyl (R)-octylphosphinate

ZINC:

ZINC000098208175

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).