Coenzyme A, S-(4-carboxy-3-hydroxy-3-methylbutyl)-
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Coenzyme A, S-(4-carboxy-3-hydroxy-3-methylbutyl)-
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CAS No:
78901-91-4
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Formula:
C27H46N7O19P3S
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Chemical Name:
Coenzyme A, S-(4-carboxy-3-hydroxy-3-methylbutyl)-
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Synonyms:
3-hydroxy-3-methyl-4-carboxybutyl-CoA;3-hydroxy-3-methyl-4-carboxybutyl-coenzyme A;coenzyme A, 3-hydroxy-3-methyl-4-carboxybutyl-;HMCB-CoA;78901-91-4;Hmcb-coa;Coenzyme A, 3-hydroxy-3-methyl-4-carboxybutyl-;3-Hydroxy-3-methyl-4-carboxybutyl-coa;3-Hydroxy-3-methyl-4-carboxybutyl-coenzyme A;DTXSID401000130;Hmcb-CoA; (Acyl-CoA); [M+H]+;;(3R)-5-[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]ethylsulfanyl]-3-hydroxy-3-methylpentanoic acid;Coenzyme A, S-(4-carboxy-3-hydroxy-3-methylbutyl)-;9-{5-O-[{[(4-{[3-({2-[(4-Carboxy-3-hydroxy-3-methylbutyl)sulfanyl]ethyl}imino)-3-hydroxypropyl]imino}-3,4-dihydroxy-2,2-dimethylbutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofu
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CAS No:
Computed Properties
Molecular Weight:897.7
XLogP3:-6
Hydrogen Bond Donor Count:11
Hydrogen Bond Acceptor Count:24
Rotatable Bond Count:24
Exact Mass:897.17820443
Monoisotopic Mass:897.17820443
Topological Polar Surface Area:429
Heavy Atom Count:57
Complexity:1530
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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