Acetylacetone

General

Type : Analogue of substrate

Chemical_Nomenclature : pentane-2,4-dione

Canonical SMILES : CC(=O)CC(=O)C

InChI : InChI=1S\/C5H8O2\/c1-4(6)3-5(2)7\/h3H2,1-2H3

InChIKey : YRKCREAYFQTBPV-UHFFFAOYSA-N

Other name(s) : 2,4-Pentanedione,Pentane-2,4-dione,2,4-Pentadione,Diacetylmethane


MW : 100.11

Formula : C5H8O2

CAS_number : 123-54-6

PubChem : 31261

UniChem : YRKCREAYFQTBPV-UHFFFAOYSA-N

IUPHAR :

Wikipedia :

Target

Families : Acetylacetone ligand of proteins in family: AlphaBeta_hydrolase

Stucture : 3WL7 The complex structure of pOPH S172C with ligand, ACA (Pseudomonas sp. Oxidized polyvinyl alcohol hydrolase (OPH))

Protein : psesp-OPH

References (1)

Title : Structural insights into enzymatic degradation of oxidized polyvinyl alcohol - Yang_2014_Chembiochem_15_1882
Author(s) : Yang Y , Ko TP , Liu L , Li J , Huang CH , Chan HC , Ren F , Jia D , Wang AH , Guo RT , Chen J , Du G
Ref : Chembiochem , 15 :1882 , 2014
Abstract : Yang_2014_Chembiochem_15_1882
ESTHER : Yang_2014_Chembiochem_15_1882
PubMedSearch : Yang_2014_Chembiochem_15_1882
PubMedID: 25044912
Gene_locus related to this paper: psesp-OPH , sphs1-OPH