产品名称：
3-Methylphenylitaconyl-CoA
其他名称： (3-methylphenyl)itaconyl-CoA；3-METHYLPHENYLITACONYL-COA
其他名称： (3-methylphenyl)itaconyl-CoA；3-METHYLPHENYLITACONYL-COA
结构信息
| 分子式 | C33H41N7O19P3S-5 | 分子量 | 964.7 | ||
| IUPAC Name | (E)-3-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonatooxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanylcarbonyl]-4-(3-methylphenyl)but-3-enoate | ||||
| InChIKey | NUYXAUMLJJDWJX-GUJMCAJJSA-I | ||||
| InChI | InChI=1S/C33H46N7O19P3S/c1-18-5-4-6-19(11-18)12-20(13-23(42)43)32(47)63-10-9-35-22(41)7-8-36-30(46)27(45)33(2,3)15-56-62(53,54)59-61(51,52)55-14-21-26(58-60(48,49)50)25(44)31(57-21)40-17-39-24-28(34)37-16-38-29(24)40/h4-6,11-12,16-17,21,25-27,31,44-45H,7-10,13-15H2,1-3H3,(H,35,41)(H,36,46)(H,42,43)(H,51,52)(H,53,54)(H2,34,37,38)(H2,48,49,50)/p-5/b20-12+/t21-,25-,26-,27+,31-/m1/s1 | ||||
| SMILES | CC1=CC(=CC=C1)C=C(CC(=O)[O-])C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)([O-])[O-])O | ||||
