Product Name：
(6Z,9Z,11E)-octadecatrienoyl-CoA
Other Names： (6Z,9Z,11E)-octadecatrienoyl-CoA；CHEBI:85940；cis6,cis9,trans11-octadecatrienoyl-CoA；(6Z,9Z,11E)-octadecatrienoyl-coenzyme A；cis,cis,trans-6,9,11-octadecatrienoyl-CoA；cis6,cis9,trans11-octadecatrienoyl-coenzyme A；cis,cis,trans-6,9,11-octadecatrienoyl-coenzyme A；Q27158804；3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(6Z,9Z,11E)-octa-6,9,11-trienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
Other Names： (6Z,9Z,11E)-octadecatrienoyl-CoA；CHEBI:85940；cis6,cis9,trans11-octadecatrienoyl-CoA；(6Z,9Z,11E)-octadecatrienoyl-coenzyme A；cis,cis,trans-6,9,11-octadecatrienoyl-CoA；cis6,cis9,trans11-octadecatrienoyl-coenzyme A；cis,cis,trans-6,9,11-octadecatrienoyl-coenzyme A；Q27158804；3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(6Z,9Z,11E)-octa-6,9,11-trienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
Structural Information
| Molecular Formula | C39H64N7O17P3S | Molecular Weight | 1028 | ||
| 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] (6Z,9Z,11E)-octadeca-6,9,11-trienethioate | ||||
| InChIKey | OSAKHLZULJEFTD-FJHKCSJXSA-N | ||||
| InChI | InChI=1S/C39H64N7O17P3S/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/h9-12,14-15,26-28,32-34,38,49-50H,4-8,13,16-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b10-9+,12-11-,15-14-/t28-,32-,33-,34+,38-/m1/s1 | ||||
| SMILES | CCCCCCC=CC=CCC=CCCCCC(=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 | ||||
