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BioLiP

PDB CCD ID: GST
Number of entries in BioLiP: 58
Chemical formula: C10 H20 O6 P2 S
InChI: InChI=1S/C10H20O6P2S/c1-9(2)5-4-6-10(3)7-8-19-18(14,15)16-17(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7+
InChIKey: AKIXWSDUEPPMKM-JXMROGBWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=CCCC(=CCSP(=O)(O)OP(=O)(O)O)C)C
CACTVS 3.341CC(C)=CCCC(C)=CCS[P](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C
CACTVS 3.341CC(C)=CCCC(/C)=C/CS[P@@](O)(=O)O[P](O)(O)=O
ACDLabs 10.04O=P(O)(OP(=O)(O)O)SC/C=C(/CC/C=C(\C)C)C
Name:GERANYL S-THIOLODIPHOSPHATE;
S-[(2E)-3,7-DIMETHYLOCTA-2,6-DIENYL] TRIHYDROGEN THIODIPHOSPHATE
DrugBank: DB04702
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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