产品名称：
12-HETE-CoA
其他名称： 12-hydroxy-(5Z,8Z,10E,14Z)-eicosatetraenoyl-CoA；12-HETE-CoA；CHEBI:137112；(5Z,8Z,10E,14Z)-12-hydroxyicosatetraenoyl-CoA；12-hydroxy-(5Z,8Z,10E,14Z)-icosatetraenoyl-CoA；3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(5Z,8Z,10E,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
其他名称： 12-hydroxy-(5Z,8Z,10E,14Z)-eicosatetraenoyl-CoA；12-HETE-CoA；CHEBI:137112；(5Z,8Z,10E,14Z)-12-hydroxyicosatetraenoyl-CoA；12-hydroxy-(5Z,8Z,10E,14Z)-icosatetraenoyl-CoA；3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(5Z,8Z,10E,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
结构信息
| 分子式 | C41H66N7O18P3S | 分子量 | 1070 | ||
| IUPAC Name | S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (5Z,8Z,10E,14Z)-12-hydroxyicosa-5,8,10,14-tetraenethioate | ||||
| InChIKey | YCBRDAYQJTVLNF-ZHCDMPKSSA-N | ||||
| InChI | InChI=1S/C41H66N7O18P3S/c1-4-5-6-7-12-15-18-29(49)19-16-13-10-8-9-11-14-17-20-32(51)70-24-23-43-31(50)21-22-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h9-13,15-16,19,27-30,34-36,40,49,52-53H,4-8,14,17-18,20-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/b11-9-,13-10-,15-12-,19-16+/t29?,30-,34-,35-,36+,40-/m1/s1 | ||||
| SMILES | CCCCCC=CCC(C=CC=CCC=CCCCC(=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)O | ||||
