eicosapentaenoic acid-coenzyme A
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eicosapentaenoic acid-coenzyme A
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CAS No:
121935-04-4
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Formula:
C41H64N7O17P3S
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Chemical Name:
eicosapentaenoic acid-coenzyme A
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Synonyms:
coenzyme A, eicosapentaenoic acid-;eicosapentaenoic acid-CoA;eicosapentaenoic acid-coenzyme A;EPA-COA;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] (4E,7E,10E,13E,16E)-icosa-4,7,10,13,16-pentaenethioate;Eicosapentaenoic acid-CoA; (Acyl-CoA); [M+H]+;
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CAS No:
Computed Properties
Molecular Weight:1052.0
XLogP3:0.4
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:22
Rotatable Bond Count:33
Exact Mass:1051.32922577
Monoisotopic Mass:1051.32922577
Topological Polar Surface Area:389
Heavy Atom Count:69
Complexity:1920
Defined Atom Stereocenter Count:5
Defined Bond Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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eicosapentaenoic acid-coenzyme A
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