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CAS 103476-21-7

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(dl-3-hydroxy-3-methylglutaryl) coenzyme A so-salt trihydr.

Description:
(dl-3-hydroxy-3-methylglutaryl) coenzyme A so-salt trihydrate, commonly referred to as HMG-CoA so-salt, is a biochemical compound that plays a crucial role in the metabolic pathway of cholesterol synthesis and the biosynthesis of isoprenoids. This substance is a derivative of HMG-CoA, which is an important intermediate in the mevalonate pathway. The "so-salt" designation indicates that it is a salt form, which can enhance its solubility and stability in aqueous solutions. The trihydrate form suggests that it contains three molecules of water per molecule of the compound, which can influence its physical properties, such as solubility and crystallization behavior. HMG-CoA is also a target for statin drugs, which are used to lower cholesterol levels in the body. In terms of its chemical characteristics, it is typically a white to off-white solid, soluble in water, and may exhibit hygroscopic properties. Its molecular structure includes functional groups that facilitate its biological activity and interaction with enzymes involved in lipid metabolism.
Formula:C27H44N7NaO20P3S
InChI:InChI=1/C27H44N7O20P3S.Na/c1-26(2,21(40)24(41)30-5-4-15(35)29-6-7-58-17(38)9-27(3,42)8-16(36)37)11-51-57(48,49)54-56(46,47)50-10-14-20(53-55(43,44)45)19(39)25(52-14)34-13-33-18-22(28)31-12-32-23(18)34;/h12-14,19-21,25,39-40,42H,4-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45);
SMILES:CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(n2cnc3c(N)ncnc23)O1)O)OP(=O)(O)O)C(C(=NCCC(=NCCSC(=O)CC(C)(CC(=O)O)O)O)O)O.[Na]
Synonyms:
  • (DL-3-Hydroxy-3-methylglutaryl)-coenzyme A disodium salt trihydrate
  • 9H-purin-6-amine, 9-[5-O-[[[[4-[[3-[[2-[(4-carboxy-3-hydroxy-3-methyl-1-oxobutyl)thio]ethyl]amino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-3-O-phosphonopentofuranosyl]-, monosodium salt
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