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BioLiP

PDB CCD ID: 10G
Number of entries in BioLiP: 4
Chemical formula: C5 H12 O7 P2 S
InChI: InChI=1S/C5H12O7P2S/c1-5(4-15)2-3-11-14(9,10)12-13(6,7)8/h2,15H,3-4H2,1H3,(H,9,10)(H2,6,7,8)/b5-2+
InChIKey: YSUKJHNOIKPIFM-GORDUTHDSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(=CCOP(=O)(O)OP(=O)(O)O)CS
CACTVS 3.370C\C(CS)=C/CO[P](O)(=O)O[P](O)(O)=O
CACTVS 3.370CC(CS)=CCO[P](O)(=O)O[P](O)(O)=O
ACDLabs 12.01O=P(OP(=O)(OC/C=C(\C)CS)O)(O)O
OpenEye OEToolkits 1.7.6C/C(=C\COP(=O)(O)OP(=O)(O)O)/CS
Name:(2E)-3-methyl-4-sulfanylbut-2-en-1-yl trihydrogen diphosphate
ZINC: ZINC000098207909
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)(download the PDF file).
  • 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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