产品名称：
2,3-epoxy-2,3-dihydrobenzoyl-CoA
其他名称： 2,3-epoxy-2,3-dihydrobenzoyl-CoA；2,3-epoxy-2,3-dihydrobenzoyl-CoA(4-)；CHEBI:88118；2,3-epoxy-2,3-dihydrobenzoyl-coenzyme A(4-)；Q27160060
其他名称： 2,3-epoxy-2,3-dihydrobenzoyl-CoA；2,3-epoxy-2,3-dihydrobenzoyl-CoA(4-)；CHEBI:88118；2,3-epoxy-2,3-dihydrobenzoyl-coenzyme A(4-)；Q27160060
结构信息
| 分子式 | C28H36N7O18P3S-4 | 分子量 | 883.6 | ||
| IUPAC Name | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-2,2-dimethyl-4-[[3-[2-(7-oxabicyclo[4.1.0]hepta-2,4-diene-2-carbonylsulfanyl)ethylamino]-3-oxopropyl]amino]-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate | ||||
| InChIKey | LPLMOOBQLPTXLP-XOADNVFSSA-J | ||||
| InChI | InChI=1S/C28H40N7O18P3S/c1-28(2,22(38)25(39)31-7-6-17(36)30-8-9-57-27(40)14-4-3-5-15-20(14)50-15)11-49-56(46,47)53-55(44,45)48-10-16-21(52-54(41,42)43)19(37)26(51-16)35-13-34-18-23(29)32-12-33-24(18)35/h3-5,12-13,15-16,19-22,26,37-38H,6-11H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/p-4/t15?,16-,19-,20?,21-,22+,26-/m1/s1 | ||||
| SMILES | CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)C4=CC=CC5C4O5)O | ||||
