Molecular formula: | C29H48N7O17P3S |
Average mass: | 891.717 |
Monoisotopic mass: | 891.204024 |
ChemSpider ID: | 58163533 |
5 of 7 defined stereocentres
Double-bond stereo
(3E)-3-Octènethioate 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-diaz a-3λ~5~,5λ~5~-diphosphaheptadécan-17-yle} (non-preferred name)
[French]
[ACD/IUPAC Name](3E)-octenoyl-CoA
Adenosine, 5′-O-[hydroxy[[hydroxy[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[[(3E)-1-oxo-3-octen-1-yl]thio]ethyl]amino]propyl]amino]butoxy]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} (3E)-3-octenethioate (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}-(3E)-3-octenthioat (non-preferred name)
[German]
[ACD/IUPAC Name](3E)-octenoyl-coenzyme A
3′-phosphoadenosine 5′-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(3E)-oct-3-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
trans-3-octenoyl-CoA
trans-oct-3-enoyl-CoA
trans-oct-3-enoyl-coenzyme A