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Metabolic Modeling Tutorial
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Escherichia coli K-12 substr. MG1655 Compound: trans-2-octenal

Synonyms: 2-octenal, (E)-oct-2-enal, 2-octenel, trans-2-octen-1-al

Superclasses: an aldehyde or ketone an aldehyde an alpha,beta-unsaturated aldehyde
an aldehyde or ketone an alpha,beta-unsaturated carbonyl compound an alpha,beta-unsaturated aldehyde

Chemical Formula: C8H14O

Molecular Weight: 126.2 Daltons

Monoisotopic Molecular Weight: 126.1044650715 Daltons

SMILES: CCCCCC=C[CH]=O

InChI: InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3/b7-6+

InChIKey: InChIKey=LVBXEMGDVWVTGY-VOTSOKGWSA-N

Unification Links: ChEBI:61748 , ChemSpider:4446445 , HMDB:HMDB13809 , PubChem:5283324

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -3.52

Reactions known to consume the compound:

Not in pathways:
an aldehyde + NADP+ + H2O → a carboxylate + NADPH + 2 H+

Reactions known to produce the compound:

two-component alkanesulfonate monooxygenase :
an alkanesulfonate + FMNH2 + oxygen → an aldehyde + sulfite + FMN + H2O + 2 H+

Not in pathways:
an aliphatic amine[periplasmic space] + H2O[periplasmic space] + oxygen[periplasmic space]an aldehyde[periplasmic space] + ammonium[periplasmic space] + hydrogen peroxide[periplasmic space]
a primary amine[periplasmic space] + H2O[periplasmic space] + oxygen[periplasmic space]an aldehyde[periplasmic space] + ammonium[periplasmic space] + hydrogen peroxide[periplasmic space]

Reactions known to both consume and produce the compound:

Not in pathways:
a primary alcohol + NAD+an aldehyde + NADH + H+

In Reactions of unknown directionality:

Not in pathways:
an aldehyde[periplasmic space] + FAD[periplasmic space] + H2O[periplasmic space] = a carboxylate[periplasmic space] + FADH2[periplasmic space]
an alcohol + NADP+ = an aldehyde + NADPH + H+

Credits:
Created 18-Apr-2011 by Fulcher C , SRI International


Report Errors or Provide Feedback
Please cite the following article in publications resulting from the use of EcoCyc: Nucleic Acids Research 41:D605-12 2013
Page generated by SRI International Pathway Tools version 18.5 on Fri Nov 28, 2014, biocyc13.