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Escherichia coli K-12 substr. MG1655 Compound: cytidylyl molybdenum cofactor

Synonyms: MCD, MoO2(OH)Dtpp-mCDP, MoO2-molybdopterin cytosine dinucleotide, Mo-molybdopterin cytosine dinucleotide

Superclasses: a cofactora prosthetic groupa Mo-molybdopterin cofactor
an organic heterocyclic compoundan organic heterobicyclic compounda pteridinea pterina Mo-molybdopterin cofactor
an organic heterocyclic compoundan organonitrogen heterocyclic compounda pteridinea pterina Mo-molybdopterin cofactor


Summary from MetaCyc:
The name MoO2(OH)Dtpp-mCDP has been suggested as the systematic name for this compound [Fischer98].

Chemical Formula: C19H22N8O15P2S2Mo

Molecular Weight: 824.44 Daltons

Monoisotopic Molecular Weight: 827.9331843435 Daltons

cytidylyl molybdenum cofactor compound structure

SMILES: C6(=CC(N)=NC(=O)N(C1(OC(C(C1O)O)COP([O-])(=O)OP([O-])(=O)OCC3(O[CH]2(NC5(N=C(NC(=O)C(N[CH]2C4(=C3S[Mo](=O)(=O)S4))=5)N)))))6)

InChI: InChI=1S/C19H26N8O13P2S2.Mo.2O/c20-7-1-2-27(19(31)22-7)17-11(29)10(28)5(39-17)3-36-41(32,33)40-42(34,35)37-4-6-12(43)13(44)8-16(38-6)24-14-9(23-8)15(30)26-18(21)25-14;;;/h1-2,5-6,8,10-11,16-17,23,28-29,43-44H,3-4H2,(H,32,33)(H,34,35)(H2,20,22,31)(H4,21,24,25,26,30);;;/q;+2;;/p-4/t5-,6-,8+,10-,11-,16-,17-;;;/m1.../s1

InChIKey: InChIKey=KGCKMLSJAXDKBP-RRNIHQQDSA-J

Unification Links: ChEBI:71308, PubChem:46173482

Standard Gibbs Free Energy of Formation (ΔfG in kcal/mol): -671.859

Reactions known to produce the compound:

cytidylyl molybdenum cofactor biosynthesis :
CTP + MoO2-molybdopterin cofactor + H+cytidylyl molybdenum cofactor + diphosphate

This compound has been characterized as a cofactor or prosthetic group of the following enzymes: xanthine:NAD+ oxidoreductase, aldehyde dehydrogenase

Credits:
Created 24-Jun-2009 by Keseler I, SRI International


References

Fischer98: Fischer B, Enemark JH, Basu P (1998). "A chemical approach to systematically designate the pyranopterin centers of molybdenum and tungsten enzymes and synthetic models." J Inorg Biochem 72(1-2);13-21. PMID: 9861725


Report Errors or Provide Feedback
Please cite the following article in publications resulting from the use of EcoCyc: Nucleic Acids Research 41:D605-12 2013
Page generated by Pathway Tools version 19.5 (software by SRI International) on Thu Feb 11, 2016, biocyc14.