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MetaCyc Compound: pteroyl-γ-glutamyl-γ-glutamylglutamate

Synonyms: pteroyl-γ-glutamyl-γ-glutamylglutamic acid

Chemical Formula: C29H29N9O12

Molecular Weight: 695.6 Daltons

Monoisotopic Molecular Weight: 699.2248675713 Daltons

pteroyl-γ-glutamyl-γ-glutamylglutamate compound structure

SMILES: C(C2(=NC1(C(NC(=NC=1N=C2)N)=O)))NC3(=CC=C(C(NC(C(=O)[O-])CCC(NC(C(=O)[O-])CCC(NC(C(=O)[O-])CCC([O-])=O)=O)=O)=O)C=C3)

InChI: InChI=1S/C29H33N9O12/c30-29-37-23-22(25(44)38-29)33-15(12-32-23)11-31-14-3-1-13(2-4-14)24(43)36-18(28(49)50)6-9-20(40)34-16(26(45)46)5-8-19(39)35-17(27(47)48)7-10-21(41)42/h1-4,12,16-18,31H,5-11H2,(H,34,40)(H,35,39)(H,36,43)(H,41,42)(H,45,46)(H,47,48)(H,49,50)(H3,30,32,37,38,44)/p-4/t16-,17-,18-/m0/s1

InChIKey: InChIKey=WOLQREOUPKZMEX-BZSNNMDCSA-J

Unification Links: PubChem:90658698

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -77.31946 Inferred by computational analysis [Latendresse13]

Enzymes inhibited by pteroyl-γ-glutamyl-γ-glutamylglutamate, sorted by the type of inhibition, are:

Inhibitor (Competitive) of: cobalamin-independent homocysteine transmethylase [Whitfield70]


References

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

Whitfield70: Whitfield CD, Steers EJ, Weisbach H (1970). "Purification and properties of 5-methyltetrahydropteroyltriglutamate-homocysteine transmethylase." J Biol Chem 1970;245(2);390-401. PMID: 4904482


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 19.0 on Wed Sep 2, 2015, biocyc12.