CAS 1420-36-6
:Acetoacetyl-CoA
Description:
Acetoacetyl-CoA, with the CAS number 1420-36-6, is a thioester compound that plays a crucial role in metabolic pathways, particularly in the synthesis and degradation of fatty acids and ketone bodies. It is formed from the condensation of acetyl-CoA and acetoacetate, serving as an important intermediate in the biosynthesis of cholesterol and other lipids. Structurally, acetoacetyl-CoA consists of an acetoacetyl group linked to coenzyme A, which facilitates its participation in various enzymatic reactions. The compound is typically a colorless to pale yellow liquid and is soluble in water due to the presence of the polar coenzyme A moiety. Acetoacetyl-CoA is involved in the regulation of metabolic processes and can influence energy production, particularly during periods of fasting or low carbohydrate intake. Its reactivity is characterized by the presence of the carbonyl group, making it susceptible to nucleophilic attack, which is essential for its role in metabolic pathways. Overall, acetoacetyl-CoA is a vital metabolite in cellular metabolism and energy homeostasis.
Formula:C25H40N7O18P3S
InChI:InChI=1S/C25H40N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-12,14,18-20,24,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t14-,18-,19-,20+,24-/m1/s1
InChI key:InChIKey=OJFDKHTZOUZBOS-CITAKDKDSA-N
SMILES:O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(CC(C)=O)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O
Synonyms:- Acetoacetyl coa
- Acetoacetylcoenzyme A
- Coenzyme A, S-(3-oxobutanoate)
- Coenzyme A, S-acetoacetate
- S-Acetoacetyl-CoA
- S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 3-oxobutanethioate (non-preferred name)
- S-{1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 3-oxobutanethioate (non-preferred name)
- S-{1-[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 3-oxobutanethioate (non-preferred name)
- S-Acetoacetylcoenzyme A
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Found 4 products.
Acetoacetyl Coenzyme A Sodium Hydrate (>90%)
CAS:Controlled ProductApplications Acetoacetyl-CoA is a derivative of CoA (C636400). In the mevalonate pathway, Acetoacetyl-CoA is a precursor of HMG-CoA (H456365), and a precursor of poly-beta-hydroxybutyrate.
References Okamura, E., et al.: Proc. Natl. Acad. Sci. U. S. A., 107, 11265 (2010)Formula:C25H40N7O18P3S·xNa·xH2OPurity:>90%Color and Shape:NeatMolecular weight:892.6S-Acetoacetate coenzyme A
CAS:Acetoacetate CoA is an intermediate in the metabolic pathway of fatty acid synthesis. It is synthesized from acetyl-CoA and acetoacetyl-CoA by the enzyme synthetase. Acetoacetate CoA also regulates gene transcription, including the genes encoding for enzymes involved in fatty acid synthesis. The hydroxyl group on Acetoacetate CoA plays a role in its inhibitory effects on enzymes involved in fatty acid synthesis. Acetoacetate CoA has been shown to inhibit the activities of enzymes involved in the transcription-polymerase chain reaction (PCR) process, such as DNA polymerase and RNA polymerase. This drug has been shown to have a kinetic effect on enzyme activity, which can be used to measure its concentration in biological samples.Formula:CHNOPSPurity:Min. 95%
