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

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

2'-(5''-phosphoribosyl)-3'-dephospho-CoA compound structure

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


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

Revised 08-Nov-2011 by Caspi R , SRI International


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

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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 Thu May 28, 2015, biocyc14.