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CAS 10018-93-6

:

trans-2-Hexenoyl-CoA

Description:
Trans-2-Hexenoyl-CoA is a biochemical compound that plays a significant role in metabolic pathways, particularly in the context of fatty acid metabolism. It is an acyl-CoA derivative, which means it is a thioester formed from coenzyme A and trans-2-hexenoic acid. This compound is characterized by its long hydrocarbon chain, which contributes to its hydrophobic nature, and the presence of a double bond in the trans configuration, influencing its reactivity and interactions with enzymes. Trans-2-Hexenoyl-CoA is involved in various biochemical processes, including the β-oxidation pathway, where it is utilized for energy production. Its structure allows it to participate in the synthesis and degradation of fatty acids, making it essential for cellular energy homeostasis. Additionally, the compound's CAS number, 10018-93-6, serves as a unique identifier for regulatory and research purposes, facilitating the study of its properties and functions in biological systems. Overall, trans-2-Hexenoyl-CoA is a crucial intermediate in lipid metabolism, reflecting the intricate nature of cellular biochemistry.
Formula:C27H44N7O17P3S
InChI:InChI=1S/C27H44N7O17P3S/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/h6-7,14-16,20-22,26,37-38H,4-5,8-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/b7-6+/t16-,20-,21-,22+,26-/m1/s1
InChI key:InChIKey=OINXHIBNZUUIMR-IXUYQXAASA-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(/C=C/CCC)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O
Synonyms:
  • Coenzyme A, S-(2E)-2-hexenoate
  • trans-Δ2,3-Hexenoyl-CoA
  • Coenzyme A, S-2-hexenoate, (E)-
  • trans-2-Hexenoylcoenzyme A
  • trans-2-Hexenoyl-CoA
  • S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (E)-hex-2-enethioate
  • trans-2-Hexenoic Acid-Coenzyme A
  • (2E)-Hexenoyl-CoA
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