BioLiP

PDB

BioLiP

PDB CCD ID:

S9Y

Number of entries in BioLiP:

Chemical formula:

C18 H39 N O6 P

InChI:

InChI=1S/C18H38NO6P/c1-6-7-8-9-10-11-12-13-18(20)25-17(2)16-24-26(21,22)23-15-14-19(3,4)5/h17H,6-16H2,1-5H3/p+1/t17-/m0/s1

InChIKey:

QDKXDMCUNRVOEC-KRWDZBQOSA-O

SMILES:

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

Name:

2-[[(2~{S})-2-decanoyloxypropoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

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).