BioLiP

PDB

BioLiP

PDB CCD ID:

PLC

Number of entries in BioLiP:

Chemical formula:

C32 H65 N O8 P

InChI:

InChI=1S/C32H64NO8P/c1-6-8-10-12-14-16-18-20-22-24-31(34)38-28-30(29-40-42(36,37)39-27-26-33(3,4)5)41-32(35)25-23-21-19-17-15-13-11-9-7-2/h30H,6-29H2,1-5H3/p+1/t30-/m1/s1

InChIKey:

IJFVSSZAOYLHEE-SSEXGKCCSA-O

SMILES:

Software	SMILES
CACTVS 3.341	CCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC
ACDLabs 10.04	O=C(OCC(OC(=O)CCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCC
CACTVS 3.341	CCCCCCCCCCCC(=O)OC[C@H](CO[P@@](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC

Name:

DIUNDECYL PHOSPHATIDYL CHOLINE

DrugBank:

DB02777

ZINC:

ZINC000014880487

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).