产品名称：
(18Z,21Z,24Z,27Z,30Z)-hexatriacontapentaenoyl-CoA
其他名称： (18Z,21Z,24Z,27Z,30Z)-hexatriacontapentaenoyl-CoA；CHEBI:87981；Q27159998；(18Z,21Z,24Z,27Z,30Z)-hexatriacontapentaenoyl-coenzyme A；3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(18Z,21Z,24Z,27Z,30Z)-hexatriaconta-18,21,24,27,30-pentaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
其他名称： (18Z,21Z,24Z,27Z,30Z)-hexatriacontapentaenoyl-CoA；CHEBI:87981；Q27159998；(18Z,21Z,24Z,27Z,30Z)-hexatriacontapentaenoyl-coenzyme A；3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(18Z,21Z,24Z,27Z,30Z)-hexatriaconta-18,21,24,27,30-pentaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
结构信息
| 分子式 | C57H96N7O17P3S | 分子量 | 1276.4 | ||
| 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] (18Z,21Z,24Z,27Z,30Z)-hexatriaconta-18,21,24,27,30-pentaenethioate | ||||
| InChIKey | XSHDZWJCRHKTFD-FHPHHEERSA-N | ||||
| InChI | InChI=1S/C57H96N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-48(66)85-41-40-59-47(65)38-39-60-55(69)52(68)57(2,3)43-78-84(75,76)81-83(73,74)77-42-46-51(80-82(70,71)72)50(67)56(79-46)64-45-63-49-53(58)61-44-62-54(49)64/h8-9,11-12,14-15,17-18,20-21,44-46,50-52,56,67-68H,4-7,10,13,16,19,22-43H2,1-3H3,(H,59,65)(H,60,69)(H,73,74)(H,75,76)(H2,58,61,62)(H2,70,71,72)/b9-8-,12-11-,15-14-,18-17-,21-20-/t46-,50-,51-,52+,56-/m1/s1 | ||||
| SMILES | CCCCCC=CCC=CCC=CCC=CCC=CCCCCCCCCCCCCCCCCC(=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 | ||||
