BioLiP

PDB

BioLiP

PDB CCD ID:

FJP

Number of entries in BioLiP:

Chemical formula:

C15 H27 O4 P

InChI:

InChI=1S/C15H27O4P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19-20(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H2,16,17,18)/b14-9-,15-11+

InChIKey:

ALEWCKXBHSDCCT-GNESMGCMSA-N

SMILES:

Software	SMILES
CACTVS 3.370	CC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(O)=O
CACTVS 3.370	CC(C)=CCCC(\C)=C/CCC(/C)=C/CO[P](O)(O)=O
ACDLabs 12.01	O=P(OC/C=C(/CC/C=C(/C)CC\C=C(/C)C)C)(O)O
OpenEye OEToolkits 1.7.0	CC(=CCCC(=CCCC(=CCOP(=O)(O)O)C)C)C
OpenEye OEToolkits 1.7.0	CC(=CCC/C(=C\CC/C(=C/COP(=O)(O)O)/C)/C)C

Name:

(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl 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).