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CAS 5060-32-2

:

Hexanoyl-CoA

Description:
Hexanoyl-CoA, with the CAS number 5060-32-2, is a coenzyme A derivative of hexanoic acid, a medium-chain fatty acid. It plays a crucial role in fatty acid metabolism, particularly in the β-oxidation pathway, where it is involved in the breakdown of fatty acids to generate energy. Hexanoyl-CoA is characterized by its acyl chain length of six carbon atoms, which contributes to its hydrophobic nature, allowing it to participate in various biochemical reactions within the cell. The presence of the coenzyme A moiety enhances its reactivity, facilitating the transfer of the acyl group to other molecules. Hexanoyl-CoA is also important in the synthesis of complex lipids and serves as a substrate for various enzymatic reactions. Its metabolic pathways are significant in energy production and the regulation of lipid metabolism, making it an essential compound in cellular biochemistry. Additionally, its role in metabolic disorders related to fatty acid oxidation highlights its importance in health and disease.
Formula:C27H46N7O17P3S
InChI:InChI=1S/C27H46N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h14-16,20-22,26,37-38H,4-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/t16-,20-,21-,22+,26-/m1/s1
InChI key:InChIKey=OEXFMSFODMQEPE-HDRQGHTBSA-N
SMILES:O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(CCCCC)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O
Synonyms:
  • Hexanethioic acid, S-ester with coenzyme A
  • Hexanoyl-coenzyme A
  • Coenzyme A, hexanoate
  • Coenzyme A, S-hexanoate
  • Caproyl coenzyme A
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Purity (%)
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