Molecular formula: | C25H40N7O17P3S |
Average mass: | 835.609 |
Monoisotopic mass: | 835.141424 |
ChemSpider ID: | 21865275 |
5 of 7 defined stereocentres
Double-bond stereo
(2E)-2-Butènethioate 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}
[French]
[ACD/IUPAC Name]Adenosine, 5′-O-[hydroxy[[hydroxy[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[[(2E)-1-oxo-2-buten-1-yl]thio]ethyl]amino]propyl]amino]butoxy]phosphinyl]oxy]phosphinyl]-, 3′-(dihydrogen phosphate )
[ACD/Index Name]crotonyl-CoA
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} (2E)-2-butenethioate
[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}-(2E)-2-butenthioat
[German]
[ACD/IUPAC Name]2-Butenoyl-CoA
3′-phosphoadenosine 5′-{3-[(3R)-4-{[3-({2-[(but-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
But-2-enoyl-CoA
Coenzyme A, S-2-butenoate
Crotonyl coenzyme A
S-But-2-enoylcoenzyme A
trans-But-2-enoyl-CoA