Molecular formula: | C27H44N7O19P3S |
Average mass: | 895.661 |
Monoisotopic mass: | 895.162553 |
ChemSpider ID: | 7822209 |
5 of 8 defined stereocentres
3-Hydroxy-5-oxohexanethioate de S-{(9R)-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-diaza-3λ~5~,5λ~5~-diphosphaheptadécan-17-yle}
[French]
[ACD/IUPAC Name]3-Hydroxy-5-oxohexanoyl-CoA
Adenosine, 5′-O-[hydroxy[[hydroxy[(3R)-3-hydroxy-4-[[3-[[2-[(3-hydroxy-1,5-dioxohexyl)thio]ethyl]amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]phosphinyl]oxy]phosphinyl]-, 3′-(dihydrogen phosphat e)
[ACD/Index Name]S-{(9R)-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~- diphosphaheptadecan-17-yl} 3-hydroxy-5-oxohexanethioate
[ACD/IUPAC Name]S-{(9R)-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~- diphosphaheptadecan-17-yl}-3-hydroxy-5-oxohexanthioat
[German]
[ACD/IUPAC Name]3-hydroxy-5-oxohexanoyl-coenzyme A
3′-phosphoadenosine 5′-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxy-5-oxohexanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
adenosine 3′-phosphoric acid 5′-[diphosphoric acid P(2)-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-(3-hydroxy-5-oxohexanoylthio)ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester
adenosine, 5′-O-[hydroxy[[hydroxy[[(3R)-3-hydroxy-4-[[3-[[2-[(3-hydroxy-1,5-dioxohexyl)thio]ethyl]amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl]oxy]phosphinyl]oxy]phosphinyl]-, 3′-(dihydrogen phosphate)
S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3λ~5~,5λ~5~-diphosphaheptadecan-17-yl} 3-hydroxy-5-oxohexanethioate (non-preferred name)