Coenzyme A

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Identification

Molecular formula
C21H36N7O16P3S
CAS Number
85-61-0
IUPAC Name
S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] 4-(7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanethioate
Molecular Weight
767.54g/mol
Melting Point
(Celsius)
Boiling Point
(Celsius)
Density
1.3440g/cm3
Appearance
slightly depending on its state of hydration.
Synonyms
3-oxo-cholyl-CoA, (Acyl-CoA), [M+H]+
Interesting facts

Interesting Facts about S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] 4-(7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanethioate

This complex compound is a fascinating example of synthetic organic chemistry, showcasing the intricate combinations of various functional groups that enable its specific biological activity. Here are some noteworthy points:

  • Component Breakdown: The structure contains multiple functional groups, including phosphoryl, amino, and thioate components, which contribute to its potential effectiveness in biochemical interactions.
  • Biological Relevance: Compounds with structural elements like purines and hydroxyl groups are often linked to biological processes, especially in the context of nucleic acids and energy metabolism, adding to the interest of this compound in pharmacological research.
  • Synthetic Challenge: The synthesis of such a compound likely involves multiple steps, dealing with challenges such as sterics, regioselectivity, and yields – making it a point of discussion in advanced organic chemistry classes.
  • Potential Applications: Due to its complexity, this compound may hold potential in drug discovery, particularly in targeting pathways involved in cancer or metabolic diseases, given the structural motifs related to known drug activity.
  • Research Interest: Scientists are continually investigating similar compounds' interactions within biological systems, contributing to the field of medicinal chemistry and pharmacology.

This compound serves as a reminder of the beautiful complexity found in biochemical substances, highlighting the ongoing dialogue between synthetic chemistry and therapeutic innovation.


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