Product Name：
(11E,13Z)-octadecadienoyl-CoA
Other Names： (11E,13Z)-octadecadienoyl-CoA；CHEBI:85955；(11E,13Z)-octadecadienoyl-coenzyme A；Q27158811；3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(11E,13Z)-octa-11,13-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
Other Names： (11E,13Z)-octadecadienoyl-CoA；CHEBI:85955；(11E,13Z)-octadecadienoyl-coenzyme A；Q27158811；3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(11E,13Z)-octa-11,13-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
Structural Information
| Molecular Formula | C39H66N7O17P3S | Molecular Weight | 1030 | ||
| 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] (11E,13Z)-octadeca-11,13-dienethioate | ||||
| InChIKey | DPUUFYYTSHLORL-WXGQEAQZSA-N | ||||
| InChI | InChI=1S/C39H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h7-10,26-28,32-34,38,49-50H,4-6,11-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b8-7-,10-9+/t28-,32-,33-,34+,38-/m1/s1 | ||||
| SMILES | CCCCC=CC=CCCCCCCCCCC(=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 | ||||
