BioLiP

PDB

BioLiP

PDB CCD ID:

TJR

Number of entries in BioLiP:

Chemical formula:

C21 H43 O7 P

InChI:

InChI=1S/C21H43O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h20,22H,2-19H2,1H3,(H2,24,25,26)/t20-/m1/s1

InChIKey:

LAYXSTYJRSVXIH-HXUWFJFHSA-N

SMILES:

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

Name:

[(2~{R})-2-oxidanyl-3-phosphonooxy-propyl] octadecanoate

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).