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BioLiP

PDB CCD ID: RRE
Number of entries in BioLiP: 3
Chemical formula: C3 O6 Re
InChI: InChI=1S/3CHO.3H2O.Re/c3*1-2;;;;/h3*1H;3*1H2;/q;;;;;;+4/p-3
InChIKey: LTJPXUNQIJYHLE-UHFFFAOYSA-K
SMILES:
SoftwareSMILES
CACTVS 3.385O.O.O.[Re+].C=O.C=O.C=O
OpenEye OEToolkits 2.0.7[C](=O)[Re+]([C]=O)([C]=O)([O])([O])[O]
Name:fac-tricarbonyl-triaqua rhenium(I)
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)(download the PDF file).
  • 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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