BioLiP

PDB

BioLiP

PDB CCD ID:

RU0

Number of entries in BioLiP:

Chemical formula:

C8 H12 Cl2 O8 Ru2

InChI:

InChI=1S/4C2H4O2.2ClH.2Ru/c4*1-2(3)4;;;;/h4*1H3,(H,3,4);2*1H;;/q;;;;;;2*+3/p-6

InChIKey:

VJFVKLYKWCORIY-UHFFFAOYSA-H

SMILES:

Software	SMILES
CACTVS 3.370	CC1=O\|[Ru]\|234(Cl)\|O=C(C)O[Ru]\|2(Cl)(\|O=C(C)O3)(\|O=C(C)O4)O1
ACDLabs 12.01	Cl[Ru]2314oc(o[Ru]4(Cl)(oc(o1)C)(oc(o2)C)oc(o3)C)C
OpenEye OEToolkits 1.7.6	CC1=O[Ru]234(=[Ru](O1)(O=C(O2)C)(O=C(O3)C)(OC(=O4)C)Cl)Cl

Name:

Tetrakis(acetato)chloridodiruthenium(II,III)

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).