Molecular formula: | C29H46N7O17P3S |
Average mass: | 889.701 |
Monoisotopic mass: | 889.188374 |
ChemSpider ID: | 13628330 |
4 of 7 defined stereocentres
Double-bond stereo
(2E,4E)-2,4-Octadiènethioate de S-{1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tétrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-diméthyl-10,14-dioxo-3,5-dioxydo-2,4,6-trioxa-11,15-d iaza-3λ~5~,5λ~5~-diphosphaheptadécan-17-yle} (non-preferred name)
[French]
[ACD/IUPAC Name]2-trans,4-trans-Octadienoyl-CoA
74418-29-4
[RN]Adenosine, 5′-O-[hydroxy[[hydroxy[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[[(2E,4E)-1-oxo-2,4-octadien-1-yl]thio]ethyl]amino]propyl]amino]butoxy]phosphinyl]oxy]phosphinyl]-, 3′-(dihydrogen phosph ate)
[ACD/Index Name]S-{1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3λ~5~,5λ~5~-dipho sphaheptadecan-17-yl} (2E,4E)-2,4-octadienethioate (non-preferred name)
S-{1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3λ~5~,5λ~5~-dipho sphaheptadecan-17-yl} (2E,4E)-2,4-octadienethioate (non-preferred name)
[ACD/IUPAC Name]S-{1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3λ~5~,5λ~5~-dipho sphaheptadecan-17-yl}-(2E,4E)-2,4-octadienthioat (non-preferred name)
[German]
[ACD/IUPAC Name](E,E)-OCTA-2,4-DIENOYL-COA
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[({hydroxy[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(2E,4E)-octa-2,4-dienoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxyphosphoryl}oxy)methyl]oxolan-3-yl]oxyphosphonic acid
S-[2E,4E]-Octadienoate
S-[2E,4E]-Octadienoate CoA
S-[2E,4E]-Octadienoate Coenzyme A
S-[2E,4E]-Octadienoic acid
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy({3-hydroxy-2,2-dimethyl-3-[(2-{[2-(octa-2,4-dienoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy})phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid