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BioLiP

PDB CCD ID: RZO
Number of entries in BioLiP: 1
Chemical formula: C6 H12 Cl2 O7 P2
InChI: InChI=1S/C6H12Cl2O7P2/c1-5(4-9)2-3-15-17(13,14)6(7,8)16(10,11)12/h2,9H,3-4H2,1H3,(H,13,14)(H2,10,11,12)/b5-2+
InChIKey: ANMIMWNFRRKSMF-GORDUTHDSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=CCOP(=O)(C(P(=O)(O)O)(Cl)Cl)O)CO
OpenEye OEToolkits 2.0.7C/C(=C\COP(=O)(C(P(=O)(O)O)(Cl)Cl)O)/CO
CACTVS 3.385CC(CO)=CCO[P](O)(=O)C(Cl)(Cl)[P](O)(O)=O
CACTVS 3.385CC(/CO)=C\CO[P](O)(=O)C(Cl)(Cl)[P](O)(O)=O
Name:[bis(chloranyl)-[[(E)-3-methyl-4-oxidanyl-but-2-enoxy]-oxidanyl-phosphoryl]methyl]phosphonic acid
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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