BioLiP

PDB

BioLiP

PDB CCD ID:

PA8

Number of entries in BioLiP:

Chemical formula:

C19 H36 O8 P

InChI:

InChI=1S/C19H37O8P/c1-3-5-7-9-11-13-18(20)25-15-17(16-26-28(22,23)24)27-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H2,22,23,24)/p-1/t17-/m1/s1

InChIKey:

XYSBQYUENLDGMI-QGZVFWFLSA-M

SMILES:

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

Name:

1,2-DIOCTANOYL-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).