BioLiP

PDB

BioLiP

PDB CCD ID:

F5T

Number of entries in BioLiP:

Chemical formula:

C6 H11 F3 O8 Rh2

InChI:

InChI=1S/C2HF3O2.2C2H4O2.2H2O.2Rh/c3-2(4,5)1(6)7;2*1-2(3)4;;;;/h1H;2*2H,1H3;2*1H2;;/q3*-2;;;2*+5/p-2

InChIKey:

AAVQFBAKNWVTEL-UHFFFAOYSA-L

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC1O[Rh+]23(OC(O[Rh+]2(O1)(OC(O3)C(F)(F)F)O)C)O
CACTVS 3.385	C[CH]1O[Rh+]2(O)O[CH](C)O[Rh+](O)(O1)O[CH](O2)C(F)(F)F
CACTVS 3.385	C[C@@H]1O[Rh+]2(O)O[C@@H](C)O[Rh+](O)(O1)O[C@H](O2)C(F)(F)F

Name:

cis-bis(mi2-acetato-O, O')-(mi2-trifluoroacetato-O, O')-diaquo-dirhodium (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).