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CAS 108347-83-7

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B-methylcrotonyl coenzyme A lithium*crystalline

Description:
B-methylcrotonyl coenzyme A lithium, with the CAS number 108347-83-7, is a biochemical compound that plays a significant role in metabolic pathways, particularly in the catabolism of branched-chain amino acids and fatty acids. This compound is a derivative of coenzyme A, which is essential for various biochemical reactions, including the synthesis and oxidation of fatty acids. The lithium salt form indicates that lithium ions are associated with the coenzyme, potentially influencing its solubility and reactivity. In its crystalline form, B-methylcrotonyl coenzyme A lithium exhibits specific structural characteristics that can be analyzed using techniques such as X-ray crystallography. The compound is typically stable under standard laboratory conditions but may be sensitive to moisture and light, which can affect its integrity. Its role in enzymatic reactions highlights its importance in metabolic regulation and energy production within biological systems. Understanding its properties and behavior is crucial for applications in biochemistry and pharmacology.
Formula:C26H42LiN7O17P3S
InChI:InChI=1/C26H42N7O17P3S.Li/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33;/h9,12-13,15,19-21,25,36-37H,5-8,10-11H2,1-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41);
SMILES:CC(=CC(=O)SCCN=C(CCN=C(C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(n2cnc3c(N)ncnc23)O1)O)OP(=O)(O)O)O)O)O)C.[Li]
Synonyms:
  • 9H-purin-6-amine, 9-[5-O-[hydroxy[[hydroxy[3-hydroxy-2,2-dimethyl-4-[[3-[[2-[(3-methyl-1-oxo-2-butenyl)thio]ethyl]amino]-3-oxopropyl]amino]-4-oxobutoxy]phosphinyl]oxy]phosphinyl]-3-O-phosphonopentofuranosyl]-, monolithium salt
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