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Merck
CN

A1625

Sigma-Aldrich

乙酰乙酰辅酶 A 钠盐 水合物

cofactor for acyl transfer

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别名:
乙酰乙酰-CoANa3
经验公式(希尔记法):
C25H40N7O18P3S · xNa+ · yH2O
CAS号:
分子量:
851.61 (anhydrous free acid basis)
UNSPSC代码:
41106305
PubChem化学物质编号:
NACRES:
NA.51

质量水平

检测方案

≥90%

形式

powder

储存温度

−20°C

SMILES字符串

[Na+].[Na+].[Na+].CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n2cnc3c(N)ncnc23

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

OJFDKHTZOUZBOS-CITAKDKDSA-N

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应用

乙酰乙酰辅酶A(乙酰乙酰-CoA)可用作许多酶的底物,包括:在反向缩合反应中产生乙酰辅酶A的乙酰乙酰-CoA硫解酶(EC2.3.1),以及在甲羟戊酸途径中产生3-羟基-3-甲基戊二酰(HMG)辅酶A并导致萜类化合物生物合成的(3-羟基-3-甲基戊二酰辅酶A(CoA)合成酶(HMGCS))。 乙酰乙酰-CoA也是微生物中聚-β-羟基丁酸酯聚合物的前体。
乙酰乙酰-CoA硫解酶EC 2.3.1.9的底物;在无活菌素的生物合成中发挥作用。

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

个人防护装备

Eyeshields, Gloves, type N95 (US)


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The Journal of biological chemistry, 278(43), 42352-42360 (2003-08-12)
Bacterial enzymes of the menaquinone (Vitamin K2) pathway are potential drug targets because they lack human homologs. MenB, 1,4-dihydroxy-2-naphthoyl-CoA synthase, the fourth enzyme in the biosynthetic pathway leading from chorismate to menaquinone, catalyzes the conversion of O-succinylbenzoyl-CoA (OSB-CoA) to 1,4-dihydroxy-2-naphthoyl-CoA
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Nature, 476(7360), 355-359 (2011-08-13)
Advanced (long-chain) fuels and chemicals are generated from short-chain metabolic intermediates through pathways that require carbon-chain elongation. The condensation reactions mediating this carbon-carbon bond formation can be catalysed by enzymes from the thiolase superfamily, including β-ketoacyl-acyl-carrier protein (ACP) synthases, polyketide
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Alzheimer's disease (AD) is characterized by progressive synaptic dysfunction, neuronal death, and brain atrophy, with amyloid-β (Aβ) plaque deposits and hyperphosphorylated tau neurofibrillary tangle accumulation in the brain tissue, which all lead to loss of cognitive function. Pathogenic mutations in
Detection of covalent tetrahedral adducts by differential isotope shift 13C NMR: acetyl-enzyme reaction intermediate formed by 3-hydroxy-3-methylglutaryl-CoA synthase.
Henry M Miziorko et al.
Methods in enzymology, 354, 208-223 (2002-11-07)

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