Metabolic Modeling Tutorial
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Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites MAYBE down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites MAYBE down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites MAYBE down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites MAYBE down
12/28 - 12/31
for maintenance.
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MetaCyc Compound: N-acetyl-5-methoxykynurenamine

Synonyms: N-acetyl-5-methoxykynuramine, AMK, N(γ)-acetyl-5-methoxykynurenamine, N-[3-(2-amino-5-methoxyphenyl]-3-oxopropyl]acetamide, acetamide, N-(3-(2-amino-5-methoxyphenyl)-3-oxopropyl)-

Superclasses: an amine an enamine

Chemical Formula: C12H16N2O3

Molecular Weight: 236.27 Daltons

Monoisotopic Molecular Weight: 236.1160923903 Daltons

SMILES: CC(=O)NCCC(=O)C1(C=C(OC)C=CC(N)=1)

InChI: InChI=1S/C12H16N2O3/c1-8(15)14-6-5-12(16)10-7-9(17-2)3-4-11(10)13/h3-4,7H,5-6,13H2,1-2H3,(H,14,15)

InChIKey: InChIKey=RJQIZOKNUKRKTP-UHFFFAOYSA-N

Unification Links: ChEBI:431787 , PubChem:390658

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 112.60793 Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

Not in pathways:
an amine + S-adenosyl-L-methionine → S-adenosyl-L-homocysteine + a methylated amine

Reactions known to produce the compound:

melatonin degradation III :
N1-acetyl-N2-formyl-5-methoxykynuramine + H2O → N-acetyl-5-methoxykynurenamine + formate + H+

In Reactions of unknown directionality:

Not in pathways:
3'-phosphoadenylyl-sulfate + an amine = adenosine 3',5'-bisphosphate + a sulfamate

Credits:
Created 04-Dec-2009 by Fulcher CA , SRI International


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 Sun Dec 28, 2014, biocyc12.