Isobutyryl-CoA

Isobutyryl-CoA
Names
	IUPAC name 3′-O-Phosphonoadenosine 5′-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methylpropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl dihydrogen diphosphate]
	Systematic IUPAC name O1-{[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl} O3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methylpropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate
	Other names Isobutyryl-coenzyme A
Identifiers
CAS Number	15621-60-0 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:15479 ;
ChemSpider	786;
KEGG	C00630;
MeSH	Isobutyryl-coenzyme+A
PubChem CID	808;
CompTox Dashboard (EPA)	DTXSID00864609 ;
	InChI InChI=1S/C25H42N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,34-35H,5-10H2,1-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,17-,18-,19+,23-/m1/s1 Key: AEWHYWSPVRZHCT-NDZSKPAWSA-N ;
	SMILES CC(C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O;
Properties
Chemical formula	C25H42N7O17P3S
Molar mass	837.62 g/mol
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

Isobutyryl-coenzyme A is a necessary cofactor required for Polyketide synthase (PKS) enzyme(s), to catalyze the a,b-dehydrogenation of acyl-CoA esters to make many natural products via Polyketide synthase (PKS) assembly lines, as well as PKS-NRPS hybrid assembly lines. The resulting products comprise antibiotics and other bioactive molecules. Notably, isobutyryl-coenzyme A is also an intermediate in the metabolism of the amino acid valine, and it is structurally similar to intermediates in the catabolism of other small amino acids.

Defective Isobutyryl-coenzyme A, produced by the body, often results in a metabolic disease.