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3-Ketohexanoyl-CoA (Synonyms:3-酮己酰辅酶A;3-Oxohexanoyl coenzyme A;β-Ketohexanoyl coenzyme A)
Catalog No. : FM162 Purity : BR/95%以上 Brand : CHEMSOON Cas No. : 19774-86-8 PubChem Id : 3082152
3-oxohexanoyl-CoA is an oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxylic acid group of 3-oxohexanoic acid. It has a role as a human metabolite, an Escherichia coli metabolite and a mouse metabolite.
3-Ketohexanoyl-CoA
Cas No. : 19774-86-8
Specification No. Purity Package Inventory Price
FM162-2mg BR/95%以上 2mg
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Product Name: 3-Ketohexanoyl-CoA
Other Names: 3-酮己酰辅酶A;3-Oxohexanoyl coenzyme A;β-Ketohexanoyl coenzyme A
CAS:19774-86-8
Structural Information
Molecular Formula C27H44N7O18P3S Molecular Weight 879.66
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] 3-hydroxy-2-methylbutanethioate
InChIKey  PEKYNTFSOBAABV-UHFFFAOYSA-N
InChI  InChI=1S/C26H44N7O18P3S/c1-13(14(2)34)25(39)55-8-7-28-16(35)5-6-29-23(38)20(37)26(3,4)10-48-54(45,46)51-53(43,44)47-9-15-19(50-52(40,41)42)18(36)24(49-15)33-12-32-17-21(27)30-11-31-22(17)33/h11-15,18-20,24,34,36-37H,5-10H2,1-4H3,(H,28,35)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)
SMILES  CC(C(C)O)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O
Literature

1.Baeyer-Villiger Oxidation of Acyl Carrier Protein-Tethered Thioester to Acyl Carrier Protein-Linked Thiocarbonate Catalyzed by a Monooxygenase Domain in FR901464 Biosynthesis. Tang, Man-Cheng et al. ACS Catalysis, 3(3), 444-447; 2013