Product Name：
(3E)-nonenoyl-CoA
Other Names： (3E)-nonenoyl-CoA；trans-3-nonenoyl-CoA；(E)-non-3-enoyl-CoA；(3E)-nonenoyl-coenzyme A；trans-3-nonenoyl-coenzyme A；(E)-non-3-enoyl-coenzyme A；CHEBI:85960；Q27158814；3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(3E)-non-3-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
Other Names： (3E)-nonenoyl-CoA；trans-3-nonenoyl-CoA；(E)-non-3-enoyl-CoA；(3E)-nonenoyl-coenzyme A；trans-3-nonenoyl-coenzyme A；(E)-non-3-enoyl-coenzyme A；CHEBI:85960；Q27158814；3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(3E)-non-3-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
Structural Information
| Molecular Formula | C30H50N7O17P3S | Molecular Weight | 905.7 | ||
| 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] (E)-non-3-enethioate | ||||
| InChIKey | VCVDAYMNOMYZHZ-KZKUDURGSA-N | ||||
| InChI | InChI=1S/C30H50N7O17P3S/c1-4-5-6-7-8-9-10-21(39)58-14-13-32-20(38)11-12-33-28(42)25(41)30(2,3)16-51-57(48,49)54-56(46,47)50-15-19-24(53-55(43,44)45)23(40)29(52-19)37-18-36-22-26(31)34-17-35-27(22)37/h8-9,17-19,23-25,29,40-41H,4-7,10-16H2,1-3H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/b9-8+/t19-,23-,24-,25+,29-/m1/s1 | ||||
| SMILES | CCCCCC=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 | ||||
