2,3-HEXANEDIONE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H10O2
Molecular Weight	114.1424
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCC(=O)C(C)=O

InChI

InChIKey=MWVFCEVNXHTDNF-UHFFFAOYSA-N

InChI=1S/C6H10O2/c1-3-4-6(8)5(2)7/h3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C6H10O2
Molecular Weight	114.1424
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Major differences exist in the function and tissue-specific expression of human aflatoxin B1 aldehyde reductase and the principal human aldo-keto reductase AKR1 family members.	1999 Oct 15	10510318
Stereoselective oxidation of aliphatic diols and reduction of hydroxy-ketones with galactitol dehydrogenase from Rhodobacter sphaeroides D.	2003	15296184
The kinetic method as a structural diagnostic tool: ionized alpha-diketones as loosely one-electron bonded diacylium ion dimers.	2003	12939482
Male-produced aggregation pheromone of the cerambycid beetle Neoclytus acuminatus acuminatus.	2004 Aug	15537155
Mass, IR, electronic and EPR spectral studies on transition metal complexes with a new tetradentate 12-membered new macrocyclic ligand.	2004 Nov	15477147
Mechanistic diversity in the RuBisCO superfamily: the "enolase" in the methionine salvage pathway in Geobacillus kaustophilus.	2007 Apr 3	17352497
Apoptotic and necrotic effects of hexanedione derivatives on the human neuroblastoma line SK-N-SH.	2007 Mar 7	17229511
Characterization of an oligomeric carbonyl reductase of dog liver: its identity with peroxisomal tetrameric carbonyl reductase.	2007 Sep	17827741
A comparison of the apoptotic and cytotoxic effects of hexanedione derivatives on human non-neuronal lines and the neuroblastoma line SH-SY5Y.	2008 Jan	17973901
Bis(guanylhydrazones) negatively affect in vitro germination of kiwifruit pollen and alter the endogenous polyamine pool.	2008 May	18426480
Probing mechanisms of axonopathy. Part II: Protein targets of 2,5-hexanedione, the neurotoxic metabolite of the aliphatic solvent n-hexane.	2009 Feb	19033394
Characterization of a rat NADPH-dependent aldo-keto reductase (AKR1B13) induced by oxidative stress.	2009 Mar 16	18845131
(R)-3-hydroxyhexan-2-one is a major pheromone component of Anelaphus inflaticollis (Coleoptera: Cerambycidae).	2009 Oct	19825301
Bioinformatic and biochemical characterization of DCXR and DHRS2/4 from Caenorhabditis elegans.	2011 May 30	21300042
S-nitrosoglutathione covalently modifies cysteine residues of human carbonyl reductase 1 and affects its activity.	2013 Feb 25	23295225
Biocatalytic production of alpha-hydroxy ketones and vicinal diols by yeast and human aldo-keto reductases.	2013 Feb 25	23295224
Curcumin is a tight-binding inhibitor of the most efficient human daunorubicin reductase--Carbonyl reductase 1.	2015 Jun 5	25541467

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:10:15 GMT 2023` Edited by `admin` on `Fri Dec 15 18:10:15 GMT 2023`
Record UNII	559ANR3NVS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,3-HEXANEDIONE

Systematic Name

English

2,3-HEXANEDIONE [FHFI]

Common Name

English

HEXANEDIONE, 2,3-

Systematic Name

English

HEXANE-2,3-DIONE

Systematic Name

English

FEMA NO. 2558

Code

English

ACETYLBUTYRYL

Common Name

English

ACETYL BUTYRYL

Common Name

English

NSC-31665

Code

English

Classification Tree Code System Code

CFR

21 CFR 172.515