BioLiP

PDB

BioLiP

PDB CCD ID:

A1JMT

Number of entries in BioLiP:

Chemical formula:

C25 H45 O4 P

InChI:

InChI=1S/C25H45O4P/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-29-30(26,27)28/h11,13,15,17,25H,7-10,12,14,16,18-20H2,1-6H3,(H2,26,27,28)/b22-13+,23-15+,24-17-/t25-/m0/s1

InChIKey:

GYBNOAFGEKAZTA-YGRYZZMUSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)CCOP(=O)(O)O
CACTVS 3.385	C[C@H](CCO[P](O)(O)=O)CC\C=C(C)/CC\C=C(/C)CC\C=C(C)\CCC=C(C)C
OpenEye OEToolkits 2.0.7	C[C@@H](CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)O
CACTVS 3.385	C[CH](CCO[P](O)(O)=O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C

Name:

[(3S,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl] dihydrogen 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).