BioLiP

PDB

BioLiP

PDB CCD ID:

DST

Number of entries in BioLiP:

113

Chemical formula:

C5 H12 O6 P2 S

InChI:

InChI=1S/C5H12O6P2S/c1-5(2)3-4-14-13(9,10)11-12(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8)

InChIKey:

ZWFWSISPSBLNGO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(=CCSP(=O)(O)OP(=O)(O)O)C
OpenEye OEToolkits 2.0.7	CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C
ACDLabs 12.01	OP(O)(=O)OP(O)(=O)SC\C=C(\C)C
CACTVS 3.385	CC(C)=CCS[P](O)(=O)O[P](O)(O)=O

Name:

DIMETHYLALLYL S-THIOLODIPHOSPHATE;
DMASPP;
DMAPP;
DMADP;
Dimethylallyl pyrophosphate;
dimethylallyl diphosphate;
isoprenyl pyrophosphate

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).