2385-88-8 ((Coenzyme A, S-(2-oxopropanoate) (9CI, ACI))

快速询单

结构式：

Coenzyme A, S-(2-oxopropanoate) (9CI, ACI)MOL文件

CAS号：

2385-88-8

英文名称：

Coenzyme A, S-(2-oxopropanoate) (9CI, ACI)

分子式：

C₂₄H₃₈N₇O₁₈P₃S

分子量：

837.580907344818

Coenzyme A, S-(2-oxopropanoate) (9CI, ACI)(2385-88-8)名称与标识符

名称

英文别名：

Coenzyme A, S-pyruvate (7CI, 8CI);Pyruvic acid, 1-thio-, S-ester with coenzyme A;Pyruvoyl coenzyme A;Pyruvoyl-CoA;

标识符

InChIKey：

WCYQHDTVSBUCTK-ZSJPKINUSA-N

Inchi：

1S/C24H38N7O18P3S/c1-12(32)23(37)53-7-6-26-14(33)4-5-27-21(36)18(35)24(2,3)9-46-52(43,44)49-51(41,42)45-8-13-17(48-50(38,39)40)16(34)22(47-13)31-11-30-15-19(25)28-10-29-20(15)31/h10-11,13,16-18,22,34-35H,4-9H2,1-3H3,(H,26,33)(H,27,36)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/t13-,16-,17-,18+,22-/m1/s1

SMILES：

O[C@@H]1[C@H](OP(O)(O)=O)[C@@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C(=O)C)O[C@H]1N1C=NC2C(=NC=NC1=2)N

Coenzyme A, S-(2-oxopropanoate) (9CI, ACI)(2385-88-8)合成路线

合成路线：1 步

2385-88-8

参考文献：

Pyruvic acid thioesters

Knappe, Joachim; et al, Justus Liebigs Annalen der Chemie, 1967, 701, 217-24

合成路线：1 步

反应条件：

1.1 Reagents: Ammonium formate , Oxygen , Glutaryl coenzyme A dehydrogenase Solvents: Water

参考文献：

Alternate Substrates of Human Glutaryl-CoA Dehydrogenase: Structure and Reactivity of Substrates, and Identification of a Novel 2-Enoyl-CoA Product

Rao, K. Sudhindra; et al, Biochemistry, 2002, 41(4), 1274-1284

合成路线：2 步

反应条件：

1.1 -
2.1 Reagents: Ammonium formate , Oxygen , Glutaryl coenzyme A dehydrogenase Solvents: Water

参考文献：

Alternate Substrates of Human Glutaryl-CoA Dehydrogenase: Structure and Reactivity of Substrates, and Identification of a Novel 2-Enoyl-CoA Product

Rao, K. Sudhindra; et al, Biochemistry, 2002, 41(4), 1274-1284

合成路线：3 步

反应条件：

1.1 Reagents: Sodium hydroxide Solvents: Water
2.1 -
3.1 Reagents: Ammonium formate , Oxygen , Glutaryl coenzyme A dehydrogenase Solvents: Water

参考文献：

Alternate Substrates of Human Glutaryl-CoA Dehydrogenase: Structure and Reactivity of Substrates, and Identification of a Novel 2-Enoyl-CoA Product

Rao, K. Sudhindra; et al, Biochemistry, 2002, 41(4), 1274-1284

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2385-88-8 ((Coenzyme A, S-(2-oxopropanoate) (9CI, ACI))

Coenzyme A, S-(2-oxopropanoate) (9CI, ACI)(2385-88-8)名称与标识符

名称

标识符

Coenzyme A, S-(2-oxopropanoate) (9CI, ACI)(2385-88-8)合成路线

目录