70019-68-0 (S-Ethyl-CoA,Coenzyme A, S-ethyl-)

快速询单

结构式：

S-Ethyl-CoAMOL文件

CAS号：

70019-68-0

中文名称：

S-Ethyl-CoA

英文名称：

Coenzyme A, S-ethyl-

分子式：

C₂₃H₄₀N₇O₁₆P₃S

分子量：

795.587286949158

S-Ethyl-CoA(70019-68-0)名称与标识符

名称

英文别名：

Coenzyme A, S-ethyl-;ethyl-coenzyme A; S-Ethyl-CoA ;S-Ethylcoenzyme A;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-4-[[3-(2-ethylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate;S-Ethyl-coa;70019-68-0;S-Ethyl-coenzyme A;9-{5-O-[{[{4-[(3-{[2-(Ethylsulfanyl)ethyl]imino}-3-hydroxypropyl)imino]-3,4-dihydroxy-2,2-dimethylbutoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine;Ethyl-coenzyme A; (Acyl-CoA); [M+H]+;;DTXSID70990262;

标识符

InChIKey：

YGTAAWZKDDQUQN-ZSJPKINUSA-N

Inchi：

1S/C23H40N7O16P3S/c1-4-50-8-7-25-14(31)5-6-26-21(34)18(33)23(2,3)10-43-49(40,41)46-48(38,39)42-9-13-17(45-47(35,36)37)16(32)22(44-13)30-12-29-15-19(24)27-11-28-20(15)30/h11-13,16-18,22,32-33H,4-10H2,1-3H3,(H,25,31)(H,26,34)(H,38,39)(H,40,41)(H2,24,27,28)(H2,35,36,37)/t13-,16-,17-,18+,22-/m1/s1

SMILES：

S(CC)CCNC(CCNC([C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)OP(=O)(O)O)O)=O)=O