3-hydroxy-3-methylglutaryl-Coenzyme A-d3 (ammonium salt)

3-hydroxy-3-methylglutaryl-Coenzyme A-d3 is intended for use as an internal standard for the quantification of 3-hydroxy-3-methylglutaryl-coenzyme A (Cay-25394) by GC- or LC-MS. 3-hydroxy-3-methylglutaryl-Coenzyme A (HMG-CoA) is an intermediate in several metabolic pathways. Conversion of HMG-CoA to mevalonate by HMG-CoA reductase is the rate-limiting first step in the cholesterol biosynthetic pathway. Alternatively, HMG-CoA can be cleaved into acetyl-CoA and the ketone body acetoacetate in mitochondria by HMG-CoA lyase. HMG-CoA is also an intermediate in the degradation of leucine.Formal Name: S-(hydrogen 3-hydroxy-3-methyl-d3-pentanedioate)-coenzyme A, tetraammonium salt. Synonyms: DL-3-hydroxy-3-methylglutaryl-CoA-d3, HMG-CoA-d3, Hydroxymethylglutaryl-CoA-d3. Molecular Formula: C27H37D3N7O20P3S . 4NH4. Formula Weight: 982.8. Purity: >99% deuterated forms (d1-d3). Formulation: (Request formulation change), A crystalline solid. Solubility: Water: 50 mg/ml. SMILES: O[C@@H]1[C@H](OP([O-])([O-])=O)[C@@H](COP(OP(OCC(C)(C)[C@](O)([H])C(NCCC(NCCSC(CC(O)(C([2H])([2H])[2H])CC(O)=O)=O)=O)=O)([O-])=O)([O-])=O)O[C@H]1N2C3=C(C(N)=NC=N3)N=C2.[NH4+].[NH4+].[NH4+].[NH4+]. InChi Code: InChI=1S/C27H44N7O20P3S.4H3N/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),4*1H3/t14-,19-,20-,21+,25-,27?,,,,/m1..../s1/i3D3,,,,. InChi Key: CCUDFXYQLRWJMW-RADOUKRQSA-N.