产品名称：
hexadeca-4,7,10,13-tetraene-1-oyl-CoA
其他名称： hexadeca-4,7,10,13-tetraene-1-oyl-CoA；(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraene-1-oyl-CoA
其他名称： hexadeca-4,7,10,13-tetraene-1-oyl-CoA；(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraene-1-oyl-CoA
结构信息
| 分子式 | C37H54N7O17P3S-4 | 分子量 | 993.8 | ||
| IUPAC Name | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-[2-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate | ||||
| InChIKey | JTUHLFLWSYGZLP-WADDQEABSA-J | ||||
| InChI | InChI=1S/C37H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h5-6,8-9,11-12,14-15,24-26,30-32,36,47-48H,4,7,10,13,16-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b6-5-,9-8-,12-11-,15-14-/t26-,30-,31-,32+,36-/m1/s1 | ||||
| SMILES | CCC=CCC=CCC=CCC=CCCC(=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 | ||||
