Metabolic Modeling Tutorial
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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: anserine

Synonyms: β-alanyl-Nπ-methyl-L-histidine

Superclasses: a polypeptide a peptide an oligopeptide a dipeptide
a small molecule an oligopeptide a dipeptide

Chemical Formula: C10H16N4O3

Molecular Weight: 240.26 Daltons

Monoisotopic Molecular Weight: 240.12224040069998 Daltons

SMILES: CN1(C=NC=C1CC(NC(CC[N+])=O)C([O-])=O)

InChI: InChI=1S/C10H16N4O3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1

InChIKey: InChIKey=MYYIAHXIVFADCU-QMMMGPOBSA-N

Unification Links: CAS:584-85-0 , ChEBI:58445 , HMDB:HMDB00194 , KEGG:C01262 , MetaboLights:MTBLC18323 , PubChem:6992114

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 90.20794 Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

Not in pathways:
anserine + H2O → N(π)-methyl-L-histidine + β-alanine


a dipeptide + H2O → a standard α amino acid + a standard α amino acid
a dipeptide + H2O → a standard α amino acid + a standard α amino acid
a dipeptide + H2O → a standard α amino acid + a standard α amino acid
a dipeptide + H2O → 2 a standard α amino acid
a dipeptide + H2O → 2 amino acids
an oligopeptide[periplasmic space] + H2O[periplasmic space] → a peptide[periplasmic space] + a dipeptide[periplasmic space]
an oligopeptide + H2O → a dipeptide + a peptide
an oligopeptide + H2O → a dipeptide + a peptide
an oligopeptide + H2O → a peptide + a dipeptide
an oligopeptide + H2O → a dipeptide + a peptide


an oligopeptide + H2O → a dipeptide + a peptide
an oligopeptide + H2O → a peptide + a dipeptide
an oligopeptide + H2O → a dipeptide + a peptide
an oligopeptide + H2O → a dipeptide + a peptide
an oligopeptide[periplasmic space] + H2O[periplasmic space] → a peptide[periplasmic space] + a dipeptide[periplasmic space]
an oligopeptide + H2O → a peptide + a standard α amino acid
an oligopeptide + H2O → a peptide + a peptide
an oligopeptide + H2O → a peptide + a peptide
an oligopeptide + H2O → a peptide + a peptide

Reactions known to produce the compound:

Not in pathways:
carnosine + S-adenosyl-L-methionine → S-adenosyl-L-homocysteine + anserine + H+

hemoglobin degradation :
a small peptide + n H2O → n+1 a dipeptide


a peptide + n H2O → n+1 a dipeptide
ATP + 2 an L-amino acid → ADP + a dipeptide + phosphate + H+
a tetrapeptide + H2O → a dipeptide + a dipeptide
a polypeptide + H2O → a dipeptide + a peptide
a protein + H2O → a dipeptide + a peptide
a tripeptide + H2O → a dipeptide + a standard α amino acid


a peptide with an internal Lys-Lys bond + H2O → a peptide with L-lysine-L-lysine at the C-terminal + a peptide
a peptide with an internal Lys-Arg bond + H2O → a peptide with lysine-arginine at the C-terminal + a peptide

In Reactions of unknown directionality:

Not in pathways:
a complement C5 precursor + H2O = a complement 5 α chain + a peptide

In Transport reactions:
ATP + a dipeptide[periplasmic space] + H2O → ADP + a dipeptide[cytosol] + phosphate + H+ ,
a dipeptide[periplasmic space] + H+[periplasmic space]a dipeptide[cytosol] + H+[cytosol] ,
an oligopeptide[extracellular space] + ATP + H2O ↔ an oligopeptide[cytosol] + ADP + phosphate


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 Fri Dec 19, 2014, BIOCYC14B.