产品名称：
2-oxepin-2(3H)-ylideneacetyl-CoA(4-)
其他名称： 2-oxepin-2(3H)-ylideneacetyl-CoA(4-)；oxepin-CoA tetraanion；oxepin-CoA(4-)；CHEBI:63252；2-oxepin-2(3H)-ylideneacetyl-CoA tetraanion；Q27132519
其他名称： 2-oxepin-2(3H)-ylideneacetyl-CoA(4-)；oxepin-CoA tetraanion；oxepin-CoA(4-)；CHEBI:63252；2-oxepin-2(3H)-ylideneacetyl-CoA tetraanion；Q27132519
结构信息
| 分子式 | C29H38N7O18P3S-4 | 分子量 | 897.6 | ||
| IUPAC Name | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-2,2-dimethyl-4-[[3-[2-[(2Z)-2-(3H-oxepin-2-ylidene)acetyl]sulfanylethylamino]-3-oxopropyl]amino]-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate | ||||
| InChIKey | ZQZCWPBSHHYCMM-BETJHJQZSA-J | ||||
| InChI | InChI=1S/C29H42N7O18P3S/c1-29(2,24(40)27(41)32-8-7-19(37)31-9-11-58-20(38)12-17-6-4-3-5-10-49-17)14-51-57(47,48)54-56(45,46)50-13-18-23(53-55(42,43)44)22(39)28(52-18)36-16-35-21-25(30)33-15-34-26(21)36/h3-5,10,12,15-16,18,22-24,28,39-40H,6-9,11,13-14H2,1-2H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/p-4/b17-12-/t18-,22-,23-,24+,28-/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)C=C4CC=CC=CO4)O | ||||
