Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
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Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
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MetaCyc Compound: 3-aminopropanal

Synonyms: 3-amino-propanal, 3-APA, 3-aminopropionaldehyde, APAL

Chemical Formula: C3H8NO

Molecular Weight: 74.102 Daltons

Monoisotopic Molecular Weight: 73.052763852 Daltons

SMILES: C(CC[N+])=O

InChI: InChI=1S/C3H7NO/c4-2-1-3-5/h3H,1-2,4H2/p+1

InChIKey: InChIKey=PCXDJQZLDDHMGX-UHFFFAOYSA-O

Unification Links: ChEBI:58374 , ChemSpider:14733277 , HMDB:HMDB01106 , KEGG:C02229 , PubChem:21286229

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 48.446907 Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

β-alanine biosynthesis I , β-alanine biosynthesis IV :
3-aminopropanal + NAD(P)+ + H2O → β-alanine + NAD(P)H + 2 H+

Reactions known to produce the compound:

β-alanine biosynthesis I :
propane-1,3-diamine + H2O + oxygen → 3-aminopropanal + ammonium + hydrogen peroxide

β-alanine biosynthesis IV , spermine and spermidine degradation I :
spermine + oxygen + H2O → spermidine + 3-aminopropanal + hydrogen peroxide

spermine and spermidine degradation III :
spermidine + oxygen + H2O → putrescine + 3-aminopropanal + hydrogen peroxide
spermine + oxygen + H2O → spermidine + 3-aminopropanal + hydrogen peroxide

Not in pathways:
N1-acetylspermine + oxygen + H2O → N1-acetylspermidine + 3-aminopropanal + hydrogen peroxide
norspermine + oxygen + H2O → norspermidine + 3-aminopropanal + hydrogen peroxide

In Reactions of unknown directionality:

Not in pathways:
3-aminopropanal + NAD+ + H2O = β-alanine + NADH + 2 H+


References

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


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 Dec 22, 2014, BIOCYC13B.