产品名称：
2-methylhexanoyl-CoA(4-)
其他名称： 2-methylhexanoyl-CoA(4-)；2-methylcaproyl-CoA(4-)；2-methylcaproyl-coenzyme A(4-)；CHEBI:90156；2-methylhexanoyl-coenzyme A(4-)；Q27162363
其他名称： 2-methylhexanoyl-CoA(4-)；2-methylcaproyl-CoA(4-)；2-methylcaproyl-coenzyme A(4-)；CHEBI:90156；2-methylhexanoyl-coenzyme A(4-)；Q27162363
结构信息
| 分子式 | C28H44N7O17P3S-4 | 分子量 | 875.7 | ||
| IUPAC Name | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-2,2-dimethyl-4-[[3-[2-(2-methylhexanoylsulfanyl)ethylamino]-3-oxopropyl]amino]-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate | ||||
| InChIKey | QZBBWKARTWOCMU-CRVKRRNDSA-J | ||||
| InChI | InChI=1S/C28H48N7O17P3S/c1-5-6-7-16(2)27(40)56-11-10-30-18(36)8-9-31-25(39)22(38)28(3,4)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h14-17,20-22,26,37-38H,5-13H2,1-4H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/p-4/t16?,17-,20-,21-,22+,26-/m1/s1 | ||||
| SMILES | CCCCC(C)C(=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 | ||||
