BioLiP

PDB

BioLiP

PDB CCD ID:

A1EZI

Number of entries in BioLiP:

Chemical formula:

C36 H71 O8 P

InChI:

InChI=1S/C36H71O8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-35(37)42-32-34(33-43-45(39,40)41-3)44-36(38)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h34H,4-33H2,1-3H3,(H,39,40)/t34-/m0/s1

InChIKey:

CNEFYRLODUDZLK-UMSFTDKQSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC)OC(=O)CCCCCCCCCCCCCCC
CACTVS 3.385	CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P](O)(=O)OC)OC(=O)CCCCCCCCCCCCCCC
OpenEye OEToolkits 2.0.7	CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC)OC(=O)CCCCCCCCCCCCCCC
CACTVS 3.385	CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC)OC(=O)CCCCCCCCCCCCCCC

Name:

[(2~{S})-2-hexadecanoyloxy-3-[methoxy(oxidanyl)phosphoryl]oxy-propyl] hexadecanoate

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).