产品名称：
(3E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA
其他名称： (3E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA；CHEBI:85443；Q27158578；(3E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-coenzyme A；3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3E,7Z,10Z,13Z,16Z,19Z)-docosa-3,7,10,13,16,19-hexaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
其他名称： (3E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA；CHEBI:85443；Q27158578；(3E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-coenzyme A；3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3E,7Z,10Z,13Z,16Z,19Z)-docosa-3,7,10,13,16,19-hexaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
结构信息
| 分子式 | C43H66N7O17P3S | 分子量 | 1078 | ||
| 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] (3E,7Z,10Z,13Z,16Z,19Z)-docosa-3,7,10,13,16,19-hexaenethioate | ||||
| InChIKey | SMXVAIMPVOMQLT-OBGVZRINSA-N | ||||
| InChI | InChI=1S/C43H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,21-22,30-32,36-38,42,53-54H,4,7,10,13,16,19-20,23-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b6-5-,9-8-,12-11-,15-14-,18-17-,22-21+/t32-,36-,37-,38+,42-/m1/s1 | ||||
| SMILES | CCC=CCC=CCC=CCC=CCC=CCCC=CCC(=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 | ||||
