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CAS 103476-21-7: (dl-3-hydroxy-3-methylglutaryl) coenzyme A so-salt trihydr.

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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