Molecular formula: | C25H42N7O17P3S2 |
Average mass: | 869.685 |
Monoisotopic mass: | 869.129145 |
ChemSpider ID: | 34448795 |
5 of 7 defined stereocentres
3-(Méthylsulfanyl)propanethioate 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-triox a-11,15-diaza-3λ~5~,5λ~5~-diphosphaheptadécan-17-yle} (non-preferred name)
[French]
[ACD/IUPAC Name]3-(methylthio)propanoyl-CoA
Adenosine, 5′-O-[hydroxy[[hydroxy[[(3R)-3-hydroxy-2,2-dimethyl-4,8,13-trioxo-12,16-dithia-5,9-diazaheptadec-1-yl]oxy]phosphinyl]oxy]phosphinyl]-, 3′-(dihydrogen phosphate)
[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-(methylsulfanyl)propanethioate (non-preferred name)
[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-(methylsulfanyl)propanthioat (non-preferred name)
[German]
[ACD/IUPAC Name]1GZ
1HE
3-(methylthio)propanoyl-coenzyme A
3-Methylmercaptopropionate-Coa (Mmpa-Coa)
3′-phosphoadenosine 5′-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[3-(methylsulfanyl)propanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
methylthioacryloyl-CoA