SEQ2FUN

BioLiP

PDB CCD ID: REI
Number of entries in BioLiP: 4
Chemical formula: C6 H6 N2 O4 Re
InChI: InChI=1S/C3H4N2.3CO.H2O.Re/c1-2-5-3-4-1;3*1-2;;/h1-3H,(H,4,5);;;;1H2;/q;;;;;+1
InChIKey: KPOHHEXTCRHHSE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370O|[Re+](|[C-]#[O+])(|[C-]#[O+])(|[C-]#[O+])|n1c[nH]cc1
OpenEye OEToolkits 1.7.0C1=C[N](=CN1)[Re+](C#O)(C#O)(C#O)[OH2]
Name:Tricarbonyl (aqua) (imidazole) rhenium(I)
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).