MetaCyc Compound: but-1-en-3-one

Synonyms: methyl vinyl ketone, 3-buten-2-one, 1-buten-3-one, but-3-en-2-one, 3-oxo-1-butene

Chemical Formula: C4H6O

Molecular Weight: 70.091 Daltons

Monoisotopic Molecular Weight: 70.0418648147 Daltons

but-1-en-3-one compound structure


InChI: InChI=1S/C4H6O/c1-3-4(2)5/h3H,1H2,2H3


Unification Links: ChEBI:48058, ChemSpider:6322, KEGG:C20701, PubChem:6570

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 47.696724Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

detoxification of reactive carbonyls in chloroplasts :
but-1-en-3-one + NADPH + H+ → butan-2-one + NADP+

Reactions known to produce the compound:

(3E)-4,8-dimethylnona-1,3,7-triene biosynthesis :
(3R,6E)-nerolidol + NADPH + H+ + oxygen → (3E)-4,8-dimethylnona-1,3,7-triene + but-1-en-3-one + NADP+ + 2 H2O
(3S,6E)-nerolidol + NADPH + H+ + oxygen → (3E)-4,8-dimethylnona-1,3,7-triene + but-1-en-3-one + NADP+ + 2 H2O

(E,E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene biosynthesis :
(E,E)-geranyllinalool + NADPH + H+ + oxygen → 4,8,12-trimethyl-1,3,7,11-tridecatetraene + but-1-en-3-one + NADP+ + 2 H2O

This compound has been characterized as an alternative substrate of the following enzymes: acryloyl-CoA reductase


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

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Please cite the following article in publications resulting from the use of MetaCyc: Caspi et al, Nucleic Acids Research 42:D459-D471 2014
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