产品名称：
dinor-OPDA-coA
其他名称： dinor-OPDA-coA；dnOPDA-CoA(4-)；dinor-OPDA-CoA(4-)；CHEBI:138433；(9S,13S)-1a,1b-dinor-12-oxo-10,15-phytodienoyl-CoA(4-)
其他名称： dinor-OPDA-coA；dnOPDA-CoA(4-)；dinor-OPDA-CoA(4-)；CHEBI:138433；(9S,13S)-1a,1b-dinor-12-oxo-10,15-phytodienoyl-CoA(4-)
结构信息
| 分子式 | C37H54N7O18P3S-4 | 分子量 | 1009.8 | ||
| IUPAC Name | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-[6-[(1S,5S)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]hexanoylsulfanyl]ethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate | ||||
| InChIKey | JGHNLAZCRGYSEE-WZGLBKMISA-J | ||||
| InChI | InChI=1S/C37H58N7O18P3S/c1-4-5-7-11-24-23(13-14-25(24)45)10-8-6-9-12-28(47)66-18-17-39-27(46)15-16-40-35(50)32(49)37(2,3)20-59-65(56,57)62-64(54,55)58-19-26-31(61-63(51,52)53)30(48)36(60-26)44-22-43-29-33(38)41-21-42-34(29)44/h5,7,13-14,21-24,26,30-32,36,48-49H,4,6,8-12,15-20H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/p-4/b7-5-/t23-,24-,26+,30+,31+,32-,36+/m0/s1 | ||||
| SMILES | CCC=CCC1C(C=CC1=O)CCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)([O-])[O-])O | ||||
