Product Name:
(9Z,12Z)-heptadecadienoyl-CoA
Other Names: (9Z,12Z)-heptadecadienoyl-CoA;CHEBI:82747;(9Z,12Z)-heptadecadienoyl-coenzyme A;Q27156274;3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(9Z,12Z)-heptadeca-9,12-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Other Names: (9Z,12Z)-heptadecadienoyl-CoA;CHEBI:82747;(9Z,12Z)-heptadecadienoyl-coenzyme A;Q27156274;3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(9Z,12Z)-heptadeca-9,12-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Structural Information
Molecular Formula | C38H64N7O17P3S | Molecular Weight | 1015.9 | ||
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] (9Z,12Z)-heptadeca-9,12-dienethioate | ||||
InChIKey | ZCWCVEASRCTNOG-USRQLYQFSA-N | ||||
InChI | InChI=1S/C38H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(47)66-22-21-40-28(46)19-20-41-36(50)33(49)38(2,3)24-59-65(56,57)62-64(54,55)58-23-27-32(61-63(51,52)53)31(48)37(60-27)45-26-44-30-34(39)42-25-43-35(30)45/h7-8,10-11,25-27,31-33,37,48-49H,4-6,9,12-24H2,1-3H3,(H,40,46)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/b8-7-,11-10-/t27-,31-,32-,33+,37-/m1/s1 | ||||
SMILES | CCCCC=CCC=CCCCCCCCC(=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 |