HMG-CoA

CAS: 1553-55-5

Ref. TR-H456365

Product Information

• Name: HMG-CoA
• Synonyms: 5-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-3-hydroxy-3-methyl-5-oxopentanoic acid, (9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8,21-trimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide (non-preferred name), (9R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8,21-trimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide (non-preferred name), 3-Hydroxy-3-methylglutaryl CoA, 3-Hydroxy-3-methylglutaryl-coenzyme A, Coenzyme A, S-(hydrogen 3-hydroxy-3-methylglutarate), Coenzyme A, S-(hydrogen 3-hydroxy-3-methylpentanedioate), Hydroxymethylglutaryl CoA, Hydroxymethylglutaryl coenzyme A, S-(Hydrogen 3-hydroxy-3-methylpentanedioate) coenzyme A, β-Hydroxy-β-methylglutaryl CoA, β-Hydroxy-β-methylglutaryl-coenzyme A

Description

Applications HMG-CoA is an intermediate in the mevalonate pathway.
References Okamura, E., et al.: Proc. Natl. Acad. Sci. U. S. A., 107, 11265 (2010)

• Brand: TRC

Chemical properties

• Molecular weight: 911.659
• Formula: C₂₇H₄₄N₇O₂₀P₃S
• Color/Form: Neat
• InChI: InChI=1S/C27H44N7O20P3S/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)/t14-,19-,20-,21+,25-,27?/m1/s1
• InChI key: InChIKey=CABVTRNMFUVUDM-SJBCKIPMSA-N
• SMILES: CC(O)(CC(=O)O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O