BioLiP

PDB

BioLiP

PDB CCD ID:

DPE

Number of entries in BioLiP:

Chemical formula:

C12 H27 O2 P

InChI:

InChI=1S/C12H27O2P/c1-3-4-5-6-7-8-9-10-11-12-15(13)14-2/h15H,3-12H2,1-2H3

InChIKey:

FYHIOSOXVZDSJI-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=P(OC)CCCCCCCCCCC
CACTVS 3.341	CCCCCCCCCCC[PH](=O)OC
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCP(=O)OC
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CCCCCCCCCCC[P@@H](=O)OC

Name:

N-UNDECANYLPHOSPHONATE METHYL ESTER GROUP

ZINC:

ZINC000058631999

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).