BioLiP

PDB

BioLiP

PDB CCD ID:

AC9

Number of entries in BioLiP:

Chemical formula:

C15 H21 Cr O6

InChI:

InChI=1S/3C5H8O2.Cr/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3/b3*4-3-;

InChIKey:

JWORPXLMBPOPPU-LNTINUHCSA-K

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC1=CC(=O[Cr]23(O1)(OC(=CC(=O2)C)C)OC(=CC(=O3)C)C)C
CACTVS 3.385	CC(=O)C=C(C)O[Cr](OC(=CC(=O)C)C)OC(=CC(=O)C)C

Name:

TRISACETYLACETONATOCHROMIUM(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).