Isobutyryl-CoA

Isobutyryl-coenzyme A is a starting material for many natural products derived from Poly-Ketide Synthase (PKS) assembly lines, as well as PKS-NRPS hybrid assembly lines. These products can often be used as antibiotics. Notably, it is also an intermediate in the metabolism of the amino acid Valine, and structurally similar to intermediates in the catabolism of other small amino acids.

Isobutyryl-CoA

Names
IUPAC name S-[2-[3-[[4-[[[ 5-(6-Aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan- 2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy- 2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-methylpropanethioate
Other names Isobutyryl-coenzyme A
Identifiers
CAS Number	15621-60-0 Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:15479 N
MeSH	Isobutyryl-coenzyme+A
PubChem CID	808
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 N Key: AEWHYWSPVRZHCT-NDZSKPAWSA-N 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).
N verify (what is YN ?)
Infobox references