Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
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MetaCyc Compound: 1-pentan-3-one

Synonyms: diethyl ketone, 3-pentanone, pentan-3-one, dimethylacetone, diethylcetone, ethyl ketone

Superclasses: an aldehyde or ketone a ketone

Summary:

Citations: [Yamauchi11, Van01a]

Chemical Formula: C5H10O

Molecular Weight: 86.133 Daltons

Monoisotopic Molecular Weight: 86.0731649431 Daltons

SMILES: CCC(CC)=O

InChI: InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3

InChIKey: InChIKey=FDPIMTJIUBPUKL-UHFFFAOYSA-N

Unification Links: CAS:96-22-0 , ChEBI:67886 , ChemSpider:7016 , MetaboLights:MTBLC67886 , PubChem:7288

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 70.251205 Inferred by computational analysis [Latendresse13]

Reactions known to produce the compound:

detoxification of reactive carbonyls in chloroplasts :
1-penten-3-one + NADPH + H+1-pentan-3-one + NADP+

cuticular wax biosynthesis :
a secondary alcohol + an oxidized electron acceptor → a ketone + a reduced electron acceptor

Not in pathways:
a secondary alcohol + oxygen → a ketone + hydrogen peroxide


a nitroalkane + oxygen + H2O → an aldehyde or ketone + nitrite + hydrogen peroxide + H+

In Reactions of unknown directionality:

Not in pathways:
a ketone + NADP+ = an enone + NADPH + H+
a secondary alcohol + an oxidized coenzyme F420 = a ketone + a reduced coenzyme F420
a secondary alcohol + NADP+ = a ketone + NADPH + H+
a secondary alcohol + NAD+ = a ketone + NADH + H+

Credits:
Created 31-Mar-2011 by Dreher KA , TAIR


References

Latendresse13: Latendresse M. (2013). "Computing Gibbs Free Energy of Compounds and Reactions in MetaCyc."

Van01a: Van Poecke RM, Posthumus MA, Dicke M (2001). "Herbivore-induced volatile production by Arabidopsis thaliana leads to attraction of the parasitoid Cotesia rubecula: chemical, behavioral, and gene-expression analysis." J Chem Ecol 27(10);1911-28. PMID: 11710601

Yamauchi11: Yamauchi Y, Hasegawa A, Taninaka A, Mizutani M, Sugimoto Y (2011). "NADPH-dependent Reductases Involved in the Detoxification of Reactive Carbonyls in Plants." J Biol Chem 286(9);6999-7009. PMID: 21169366


Report Errors or Provide Feedback
Please cite the following article in publications resulting from the use of MetaCyc: Caspi et al, Nucleic Acids Research 42:D459-D471 2014
Page generated by SRI International Pathway Tools version 18.5 on Mon Nov 24, 2014, biocyc13.