CAS: 1553-55-5 - HMG-CoA

Formula: C₂₇H₄₄N₇O₂₀P₃S

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: O=C(O)CC(O)(C)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)(O)O

Synonyms:

• (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)
• HMG-CoA
• Hydroxymethylglutaryl CoA
• Hydroxymethylglutaryl coenzyme A
• S-(Hydrogen 3-hydroxy-3-methylpentanedioate) coenzyme A
• β-Hydroxy-β-methylglutaryl CoA
• β-Hydroxy-β-methylglutaryl-coenzyme A

HMG-CoA

CAS: 1553-55-5

Applications HMG-CoA is an intermediate in the mevalonate pathway. References Okamura, E., et al.: Proc. …

• Formula: C₂₇H₄₄N₇O₂₀P₃S
• Color and Shape: Neat
• Molecular weight: 911.659

HMG-CoA

CAS: 1553-55-5

HMG-CoA is a medicinal compound that acts as an inhibitor of the HMG-CoA kinase protein. …

• Formula: C₂₇H₄₄N₇O₂₀P₃S
• Purity: Min. 95%
• Molecular weight: 911.7 g/mol