BioLiP

PDB

BioLiP

PDB CCD ID:

XPA

Number of entries in BioLiP:

Chemical formula:

C23 H44 O8 P

InChI:

InChI=1S/C23H45O8P/c1-3-5-7-9-11-13-15-17-22(24)29-19-21(20-30-32(26,27)28)31-23(25)18-16-14-12-10-8-6-4-2/h21H,3-20H2,1-2H3,(H2,26,27,28)/p-1/t21-/m1/s1

InChIKey:

PHQFPHNJHDEXLJ-OAQYLSRUSA-M

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCC
CACTVS 3.341	CCCCCCCCCC(=O)OC[C@H](CO[P](O)([O-])=O)OC(=O)CCCCCCCCC
ACDLabs 10.04	O=P([O-])(O)OCC(OC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC
CACTVS 3.341	CCCCCCCCCC(=O)OC[CH](CO[P](O)([O-])=O)OC(=O)CCCCCCCCC
OpenEye OEToolkits 1.5.0	CCCCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCCCCC

Name:

1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHATE

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).