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BioLiP

PDB CCD ID: 9QB
Number of entries in BioLiP: 2
Chemical formula: C3 H4 Cl O5 Ru
InChI: InChI=1S/3CO.ClH.2H2O.Ru/c3*1-2;;;;/h;;;1H;2*1H2;/q3*+1;;;;+3/p-1
InChIKey: DTTSLSCOLQLXGC-UHFFFAOYSA-M
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C(#[O+])[Ru](C#[O+])(C#[O+])([OH2+])([OH2+])Cl
CACTVS 3.385[OH2+][Ru]([OH2+])(Cl)(C#[O+])(C#[O+])C#[O+]
Name:chloranyl-bis(oxidaniumyl)-tris(oxidaniumylidynemethyl)ruthenium
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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