137415-16-8 (Pivaloyl-CoA,Coenzyme A, S-(2,2-dimethylpropanoate))

快速询单

结构式：

Pivaloyl-CoAMOL文件

CAS号：

137415-16-8

中文名称：

Pivaloyl-CoA

英文名称：

Coenzyme A, S-(2,2-dimethylpropanoate)

分子式：

C₂₆H₄₄N₇O₁₇P₃S

分子量：

851.6505

Pivaloyl-CoA(137415-16-8)名称与标识符

名称

英文别名：

Coenzyme A, S-(2,2-dimethylpropanoate);Pivalyl-Coenzyme A;Pivaloyl-CoA;Pivalyl-CoA;2,2-dimethylpropanoyl-CoA;2,2-dimethylpropionyl-CoA;Q27455421;3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(2,2-dimethylpropanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate);S-[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]propanoyl;S-[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]ethyl] 2,2-dimethylpropanethioate;137415-16-8;DTXSID201046750;SCHEMBL7524149;Pivalyl-CoA; (Acyl-CoA); [M+H]+;;CHEBI:137545;

标识符

InChIKey：

FCMKBHDFOPWWQK-NDZSKPAWSA-N

Inchi：

1S/C26H44N7O17P3S/c1-25(2,3)24(38)54-9-8-28-15(34)6-7-29-22(37)19(36)26(4,5)11-47-53(44,45)50-52(42,43)46-10-14-18(49-51(39,40)41)17(35)23(48-14)33-13-32-16-20(27)30-12-31-21(16)33/h12-14,17-19,23,35-36H,6-11H2,1-5H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t14-,17-,18-,19+,23-/m1/s1

SMILES：

S(C([H])([H])C([H])([H])N([H])C(C([H])([H])C([H])([H])N([H])C([C@@]([H])(C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@]1([H])[C@]([H])([C@]([H])([C@]([H])(N2C([H])=NC3=C(N([H])[H])N=C([H])N=C23)O1)O[H])OP(=O)(O[H])O[H])O[H])=O)=O)C(C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])=O