BioLiP

PDB

BioLiP

PDB CCD ID:

L7X

Number of entries in BioLiP:

Chemical formula:

C9 H17 Br O7 P2

InChI:

InChI=1S/C9H17BrO7P2/c1-8(2)4-3-5-9(10)6-7-16-19(14,15)17-18(11,12)13/h4,6H,3,5,7H2,1-2H3,(H,14,15)(H2,11,12,13)/b9-6-

InChIKey:

YMIXOXPUDYECRP-TWGQIWQCSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)Br)C
CACTVS 3.385	CC(C)=CCC\C(Br)=C\CO[P](O)(=O)O[P](O)(O)=O
CACTVS 3.385	CC(C)=CCCC(Br)=CCO[P](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 2.0.7	CC(=CCC/C(=C/COP(=O)(O)OP(=O)(O)O)/Br)C

Name:

[(2Z)-3-bromanyl-7-methyl-octa-2,6-dienyl] phosphono hydrogen 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).