BioLiP

PDB

BioLiP

PDB CCD ID:

9QB

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 2.0.6	C(#[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, 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).