Molecular formula: | C29H50N7O17P3S |
Average mass: | 893.733 |
Monoisotopic mass: | 893.219674 |
ChemSpider ID: | 393007 |
5 of 7 defined stereocentres
1264-52-4
[RN]Adenosine, 5′-O-[hydroxy[[hydroxy[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[(1-oxooctyl)thio]ethyl]amino]propyl]amino]butoxy]phosphinyl]oxy]phosphinyl]-, 3′-(dihydrogen phosphate)
[ACD/Index Name]Capryloyl CoA
capryloyl-CoA
Coenzyme A, S-octanoate
N-octanoyl-coa
Octanethioate 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-3lamb da~5~,5λ~5~-diphosphaheptadécan-17-yle}
[French]
[ACD/IUPAC Name]Octanoyl coenzyme A
Octanoyl-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} octanethioate
[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}-octanthioat
[German]
[ACD/IUPAC Name]3′-phosphoadenosine 5′-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(octanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} dihydrogen diphosphate)
6562085
[Beilstein]8:0-CoA
9H-purin-6-amine, 9-[5-O-[hydroxy[[hydroxy[[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[(1-oxooctyl)thio]ethyl]amino]propyl]amino]butyl]oxy]phosphinyl]oxy]phosphinyl]-3-O-phosphono-β-D-ribof
C8:0-CoA
capryloyl-Coenzyme A
MFCD02259055
[MDL number]Octanoic acid, thio-, S-ester with coenzyme A
octanoylcoenzyme A
octylyl-CoA
octylyl-coenzyme A
{[5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy({3-hydroxy-2,2-dimethyl-3-[(2-{[2-(octanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy})phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid