Product Name：
(2E)-5-Methylhexa-2,4-dienoyl-CoA
Other Names： (2E)-5-Methylhexa-2,4-dienoyl-CoA；SCHEMBL381192；c1137; (Acyl-CoA); [M+H]+;
Other Names： (2E)-5-Methylhexa-2,4-dienoyl-CoA；SCHEMBL381192；c1137; (Acyl-CoA); [M+H]+;
Structural Information
| Molecular Formula | C28H44N7O17P3S | Molecular Weight | 875.7 | ||
| IUPAC Name | 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] (2E)-5-methylhexa-2,4-dienethioate | ||||
| InChIKey | IFMYVRQEHQTINS-MEOYLLPMSA-N | ||||
| InChI | InChI=1S/C28H44N7O17P3S/c1-16(2)6-5-7-19(37)56-11-10-30-18(36)8-9-31-26(40)23(39)28(3,4)13-49-55(46,47)52-54(44,45)48-12-17-22(51-53(41,42)43)21(38)27(50-17)35-15-34-20-24(29)32-14-33-25(20)35/h5-7,14-15,17,21-23,27,38-39H,8-13H2,1-4H3,(H,30,36)(H,31,40)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/b7-5+/t17-,21-,22-,23+,27-/m1/s1 | ||||
| SMILES | CC(=CC=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)C | ||||
