6247-62-7 (Tigloyl-CoA,Coenzyme A, S-[(2E)-2-methyl-2-butenoate])

快速询单

结构式：

Tigloyl-CoAMOL文件

CAS号：

6247-62-7

中文名称：

Tigloyl-CoA

英文名称：

Coenzyme A, S-[(2E)-2-methyl-2-butenoate]

分子式：

C₂₆H₄₂N₇O₁₇P₃S

分子量：

849.63

Tigloyl-CoA(6247-62-7)名称与标识符

名称

英文别名：

Coenzyme A,S-[(2E)-2-methyl-2-butenoate];tiglyl-coenzyme A; Tiglyl-CoA , Double bond geometry as shown.; Tigloyl-CoA; Coenzyme A, S-(2-methylcrotonate), (E)- (8CI);Coenzyme A, S-(2-methyl-2-butenoate), (E)-;Coenzyme A, S-[(2E)-2-methyl-2-butenoate];tiggeloyl-coa;(E)-2-Methylcrotonoyl-CoA;CHEBI:15478;methylcrotonyl-Coenzyme A;methylcrotonoyl-CoA;DTXSID101027515;2-Methylcrotanoyl-CoA;SCHEMBL851422;2-methylcrotonoyl-coenzyme A;Coenzyme A, tiglyl-;2-methylbut-2-enol-coenzyme A;C03345;2-methylbut-2-enoyl-Coenzyme A;2-methyl-2E-butenoyl-CoA;CHEBI:11614;2-methylcrotonoyl-CoA;alpha-methylcrotonoyl-coenzyme A;(E)-2-Methylcrotonoyl-Coenzyme A;tigloyl-Coenzyme A;trans-2-methylbut-2-enoyl-Coenzyme A;3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-2-methylbut-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate};trans-2-methylbut-2-enoyl-CoA;methylcrotonyl-CoA;Q3528332;methylcrotonoyl-Coenzyme A;2-methylcrotonyl-coenzyme A;LMFA07050191;Tigloyl CoA;tiglyl-CoA;alpha-methylcrotonoyl-CoA;tigloyl-CoA;6247-62-7;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] (E)-2-methylbut-2-enethioate;3'-phosphoadenosine 5'-[3-(3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methylbut-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl) dihydrogen diphosphate];2-methylcrotonyl-CoA;2-Methylcrotanoyl-Coenzyme A;Coenzyme A, S-(2-methylcrotonate), (E)- (8CI);

标识符

InChIKey：

PMWATMXOQQZNBX-DKBZLLMOSA-N

Inchi：

1S/C26H42N7O17P3S/c1-5-14(2)25(38)54-9-8-28-16(34)6-7-29-23(37)20(36)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-19(49-51(39,40)41)18(35)24(48-15)33-13-32-17-21(27)30-12-31-22(17)33/h5,12-13,15,18-20,24,35-36H,6-11H2,1-4H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/b14-5+/t15-,18-,19-,20+,24-/m1/s1

SMILES：

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