BioLiP

PDB

BioLiP

PDB CCD ID:

MUP

Number of entries in BioLiP:

Chemical formula:

C12 H27 O3 P

InChI:

InChI=1S/C12H27O3P/c1-3-4-5-6-7-8-9-10-11-12-16(13,14)15-2/h3-12H2,1-2H3,(H,13,14)

InChIKey:

JBVUSHKPEBKWQP-UHFFFAOYSA-N

SMILES:

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

Name:

METHOXYUNDECYLPHOSPHINIC ACID

DrugBank:

DB08222

ZINC:

ZINC000002043208

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).