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BioLiP

PDB CCD ID: 6C7
Number of entries in BioLiP: 6
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
ACDLabs 12.01OP(O)(OP(O)(SC\C=C(\C)C)=O)=O
OpenEye OEToolkits 2.0.4CC(=CCSP(=O)(O)OP(=O)(O)O)C
CACTVS 3.385CC(C)=CCS[P](O)(=O)O[P](O)(O)=O
Name:S-(3-methylbut-2-en-1-yl) trihydrogen thiodiphosphate;
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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