BioLiP

PDB

BioLiP

PDB CCD ID:

RRE

Number of entries in BioLiP:

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:

Software	SMILES
CACTVS 3.385	O.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, 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).