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BioLiP

PDB CCD ID: L7X
Number of entries in BioLiP: 2
Chemical formula: C9 H17 Br O7 P2
InChI: InChI=1S/C9H17BrO7P2/c1-8(2)4-3-5-9(10)6-7-16-19(14,15)17-18(11,12)13/h4,6H,3,5,7H2,1-2H3,(H,14,15)(H2,11,12,13)/b9-6-
InChIKey: YMIXOXPUDYECRP-TWGQIWQCSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)Br)C
CACTVS 3.385CC(C)=CCC\C(Br)=C\CO[P](O)(=O)O[P](O)(O)=O
CACTVS 3.385CC(C)=CCCC(Br)=CCO[P](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 2.0.7CC(=CCC/C(=C/COP(=O)(O)OP(=O)(O)O)/Br)C
Name:[(2Z)-3-bromanyl-7-methyl-octa-2,6-dienyl] phosphono hydrogen phosphate
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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