Coenzyme A, S-(2-oxopropyl)-
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Coenzyme A, S-(2-oxopropyl)-
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CAS No:
75179-85-0
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Formula:
C24H40N7O17P3S
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Chemical Name:
Coenzyme A, S-(2-oxopropyl)-
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Synonyms:
acetonyl-coenzyme A;S-acetonyl CoA;S-acetonyl-CoA;S-acetonyl-coenzyme A;Acetonyl-coenzyme A;[(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-4-Hydroxy-3-(Phosphonooxy)tetrahydrofuran-2-Yl]methyl (3r)-3-Hydroxy-2,2-Dimethyl-4-Oxo-4-{[3-Oxo-3-({2-[(2-Oxopropyl)thio]ethyl}amino)propyl]amino}butyl Dihydrogen Diphosphate;75179-85-0;S-Acetonyl coa;S-Acetonyl-coa;SOP;S-Acetonyl-coenzyme A;Coenzyme A, S-(2-oxopropyl)-;DTXSID50996646;S-(2-OXOPROPYL)-COENZYME A;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(2-oxopropylsulfanyl)ethylamino]propyl]amino]butyl] hydrogen phosphate;S-Acetonyl CoA; (Acyl-CoA); [M+H]+;;Q27465440;(3R)-3-HYDROXY-2,2-DIMETHYL-4-OXO-4-{[3-OXO-3-({2-[(2-OXOPROPYL)THIO]ETHYL}AMINO)PROPYL]AMINO}BUTYL DIHYDROGEN;[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2-oxopropyl)sulfanyl]ethyl}amino)propyl]amino}butyl dihydrogen diphosphate (non-preferred name);9-{5-O-[{[(3,4-Dihydroxy-4-{[3-hydroxy-3-({2-[(2-oxopropyl)sulfanyl]ethyl}imino)propyl]imino}-2,2-dimethylbutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-am
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CAS No:
Computed Properties
Molecular Weight:823.6
XLogP3:-5.6
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:22
Rotatable Bond Count:21
Exact Mass:823.14142500
Monoisotopic Mass:823.14142500
Topological Polar Surface Area:389
Heavy Atom Count:52
Complexity:1400
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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