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BioLiP

PDB CCD ID: R6U
Number of entries in BioLiP: 0
Chemical formula: C5 H11 N2 O3 Ru
InChI: InChI=1S/C5H8N2.3H2O.Ru/c1-6-3-4-7(2)5-6;;;;/h3-4H,1-2H3;3*1H2;/q+1;;;;+3/p-3
InChIKey: NXUITYSMOYFBJL-UHFFFAOYSA-K
SMILES:
SoftwareSMILES
CACTVS 3.385Cn1cc[n+](C)c1[Ru](O)(O)O
OpenEye OEToolkits 2.0.7Cn1cc[n+](c1[Ru](O)(O)O)C
Name:(1,3-dimethylimidazol-1-ium-2-yl)-tris(oxidanyl)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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