产品名称：
2-[(1R,6S)-1,6-dihydroxycyclohexa-2,4-dien-1-yl]acetyl-coA
其他名称： cis-dihydrodiol derivative of phenylacetyl-CoA；2-[(1R,6S)-1,6-dihydroxycyclohexa-2,4-dien-1-yl]acetyl-coA
其他名称： cis-dihydrodiol derivative of phenylacetyl-CoA；2-[(1R,6S)-1,6-dihydroxycyclohexa-2,4-dien-1-yl]acetyl-coA
结构信息
| 分子式 | C29H40N7O19P3S-4 | 分子量 | 915.7 | ||
| IUPAC Name | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-[2-[2-[(1R,6S)-1,6-dihydroxycyclohexa-2,4-dien-1-yl]acetyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate | ||||
| InChIKey | FGLOXTAZEAOLJK-LEHNLPACSA-J | ||||
| InChI | InChI=1S/C29H44N7O19P3S/c1-28(2,23(41)26(42)32-8-6-18(38)31-9-10-59-19(39)11-29(43)7-4-3-5-17(29)37)13-52-58(49,50)55-57(47,48)51-12-16-22(54-56(44,45)46)21(40)27(53-16)36-15-35-20-24(30)33-14-34-25(20)36/h3-5,7,14-17,21-23,27,37,40-41,43H,6,8-13H2,1-2H3,(H,31,38)(H,32,42)(H,47,48)(H,49,50)(H2,30,33,34)(H2,44,45,46)/p-4/t16-,17+,21-,22-,23+,27-,29+/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)CC4(C=CC=CC4O)O)O | ||||
