BioLiP

PDB

BioLiP

PDB CCD ID:

D5A

Number of entries in BioLiP:

Chemical formula:

C5 H11 N2 O7 Rh2

InChI:

InChI=1S/C3H3N2.C2H4O2.5H2O.2Rh/c1-2-5-3-4-1;1-2(3)4;;;;;;;/h1-3H;1H3,(H,3,4);5*1H2;;/q-1;;;;;;;+3;+4/p-6

InChIKey:

BYUCGAKRVFARFM-UHFFFAOYSA-H

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC1=O[Rh]([Rh](O1)(n2ccnc2)(O)O)(O)(O)O
CACTVS 3.385	CC(=O)O[Rh](O)(O)n1ccnc1.O[Rh](O)O

Name:

trans-mi2-acetato-(O, O')-N-imidazyl-pentaaqua-dirhodium(II, II)

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).