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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-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} hexanethioate (non-preferred (21708-76-9;5060-32-2)

Identification
Name: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-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} hexanethioate (non-preferred
Synonyms:hexanoyl-coenzyme a;Coenzyme A, S-hexanoate;CHEBI:27540;caproyl-CoA;Hexanoyl-CoA;caproyl-coenzyme A;HXC;n-hexanoyl-CoA;S-hexanoyl-CoA;n-hexanoyl-coenzyme A;S-Hexanoyl-coenzym-A;S-hexanoyl-coenzyme-A;Coenzyme A, hexanoyl-;AC1L9MQX;CHEMBL1233456;5060-32-2;3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-4-[(3-{[2-(hexanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate);S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] hexanethioate
CAS:21708-76-9;5060-32-2
Molecular Formula: C27H46N7O17P3S
Molecular Weight: 865.6771
InChI: InChI=1/C27H46N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h14-16,20-22,26,37-38H,4-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/t16-,20-,21-,22+,26-/m1/s1
Molecular Structure: (C27H46N7O17P3S) hexanoyl-coenzyme a;Coenzyme A, S-hexanoate;CHEBI:27540;caproyl-CoA;Hexanoyl-CoA;caproyl-coenzyme A;...
Properties
Density:1.76g/cm3
Refractive index:1.685
Safety Data
 

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