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BioLiP

PDB CCD ID: DST
Number of entries in BioLiP: 101
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:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=CCSP(=O)(O)OP(=O)(O)O)C
OpenEye OEToolkits 2.0.7CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C
ACDLabs 12.01OP(O)(=O)OP(O)(=O)SC\C=C(\C)C
CACTVS 3.385CC(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, Peter L 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).

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