产品名称：
18-carboxyl oleoyl-CoA
其他名称： 18-carboxyl oleoyl-CoA；omega-carboxy-(9Z)-octadec-9-enoyl-CoA
其他名称： 18-carboxyl oleoyl-CoA；omega-carboxy-(9Z)-octadec-9-enoyl-CoA
结构信息
| 分子式 | C39H61N7O19P3S-5 | 分子量 | 1056.9 | ||
| IUPAC Name | (Z)-18-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonatooxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-18-oxooctadec-9-enoate | ||||
| InChIKey | IISWKVFHQLAOMW-BTFUZUOASA-I | ||||
| InChI | InChI=1S/C39H66N7O19P3S/c1-39(2,34(52)37(53)42-20-19-28(47)41-21-22-69-30(50)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-29(48)49)24-62-68(59,60)65-67(57,58)61-23-27-33(64-66(54,55)56)32(51)38(63-27)46-26-45-31-35(40)43-25-44-36(31)46/h3-4,25-27,32-34,38,51-52H,5-24H2,1-2H3,(H,41,47)(H,42,53)(H,48,49)(H,57,58)(H,59,60)(H2,40,43,44)(H2,54,55,56)/p-5/b4-3-/t27-,32-,33-,34+,38-/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)CCCCCCCC=CCCCCCCCC(=O)[O-])O | ||||
