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: N-acetyl-serotonin sulfate

Synonyms: N-acetyl-5-hydroxytryptamine sulfate

Citations: [Ma05]

Chemical Formula: C12H14N2O5S

Molecular Weight: 298.31 Daltons

Monoisotopic Molecular Weight: 298.0623422603 Daltons

SMILES: CC(=O)NCCC1(=CNC2(=CC=C(OS(O)(=O)=O)C=C12))

InChI: InChI=1S/C12H14N2O5S/c1-8(15)13-5-4-9-7-14-12-3-2-10(6-11(9)12)19-20(16,17)18/h2-3,6-7,14H,4-5H2,1H3,(H,13,15)(H,16,17,18)

InChIKey: InChIKey=UCAJZNVFRVLULS-UHFFFAOYSA-N

Unification Links: HMDB:HMDB60834 , PubChem:45479248

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 30.805683 Inferred by computational analysis [Latendresse13]

Reactions known to produce the compound:

melatonin degradation I :
N-acetyl-serotonin + 3'-phosphoadenylyl-sulfate → N-acetyl-serotonin sulfate + adenosine 3',5'-bisphosphate

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."

Ma05: Ma X, Idle JR, Krausz KW, Gonzalez FJ (2005). "Metabolism of melatonin by human cytochromes p450." Drug Metab Dispos 33(4);489-94. PMID: 15616152


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 Fri Nov 28, 2014, biocyc13.