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discounted EARLY registration ends Dec 31, 2014
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Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
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for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
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for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
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MetaCyc Compound: 2'-(5''-phosphoribosyl)-3'-dephospho-CoA

Synonyms: 2-5-phosphoribosyl-3-dephospho-CoA

Superclasses: an ester a thioester a coenzyme A-activated compound

Summary:
2'-(5''-phosphoribosyl)-3'-dephospho-CoA is a cofactor of the enzymes citrate lyase and malonate decarboxylase complex. The cofactor is attached via phosphodiester linkage to a serine residue of an ACP protein, one of the subunits of the enzyme complex.

For biosynthesis of this cofactor, see citrate lyase activation and malonate decarboxylase activation.

Chemical Formula: C26H42N7O19P3S

Molecular Weight: 881.64 Daltons

Monoisotopic Molecular Weight: 885.1782025529 Daltons

SMILES: CC(C(C(NCCC(NCCS)=O)=O)O)(COP(OP(OCC3(CC(C(N2(C1(N=CNC(N)=C1N=C2)))O3)OC4(OC(C(C4O)O)COP([O-])(=O)[O-])))(=O)[O-])(=O)[O-])C

InChI: InChI=1S/C26H46N7O19P3S/c1-26(2,20(37)23(38)29-4-3-16(34)28-5-6-56)10-48-55(44,45)52-54(42,43)47-8-13-7-14(24(49-13)33-12-32-17-21(27)30-11-31-22(17)33)50-25-19(36)18(35)15(51-25)9-46-53(39,40)41/h11-15,18-20,22,24-25,35-37,56H,3-10,27H2,1-2H3,(H,28,34)(H,29,38)(H,30,31)(H,42,43)(H,44,45)(H2,39,40,41)/p-4/t13-,14+,15+,18+,19+,20?,22?,24+,25+/m0/s1

InChIKey: InChIKey=QENAVNODCCJSIG-ANDIXLFVSA-J

Unification Links: PubChem:25202407

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -455.92593 Inferred by computational analysis [Latendresse13]

This compound has been characterized as a cofactor or prosthetic group of the following enzymes: citrate lyase , citrate lyase , malonate decarboxylase

Credits:
Revised 08-Nov-2011 by Caspi R , 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 Mon Dec 22, 2014, biocyc14.