Coenzyme A, S-(hydrogen 3-ethyl-3-hydroxypentanedioate)
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Coenzyme A, S-(hydrogen 3-ethyl-3-hydroxypentanedioate)
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CAS No:
69925-08-2
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Formula:
C28H46N7O20P3S
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Chemical Name:
Coenzyme A, S-(hydrogen 3-ethyl-3-hydroxypentanedioate)
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Synonyms:
3-hydroxy-3-ethylglutaryl-CoA;3-hydroxy-3-ethylglutaryl-coenzyme A;coenzyme A, 3-hydroxy-3-ethylglutaryl-;HEG-CoA;hydroxyethylglutaryl-CoA;69925-08-2;Hydroxyethylglutaryl-coa;Heg-coa;3-Hydroxy-3-ethylglutaryl-coa;DTXSID50990189;3-Hydroxy-3-ethylglutaryl-coenzyme A;Heg-CoA; (Acyl-CoA); [M+H]+;;Coenzyme A, 3-hydroxy-3-ethylglutaryl-;5-[2-[3-[[4-[[[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-ethyl-3-hydroxy-5-oxopentanoic acid;Coenzyme A, S-(hydrogen 3-ethyl-3-hydroxypentanedioate);9-{5-O-[({[4-({3-[(2-{[3-(Carboxymethyl)-3-hydroxypentanoyl]sulfanyl}ethyl)imino]-3-hydroxypropyl}imino)-3,4-dihydroxy-2,2-dimethylbutoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-3-O-phosphonopent
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CAS No:
Coenzyme A, S-(hydrogen 3-ethyl-3-hydroxypentanedioate) Basic Attributes
925.7 g/mol
925.17311905 g/mol
Computed Properties
Molecular Weight:925.7
XLogP3:-6.1
Hydrogen Bond Donor Count:11
Hydrogen Bond Acceptor Count:25
Rotatable Bond Count:25
Exact Mass:925.17311905
Monoisotopic Mass:925.17311905
Topological Polar Surface Area:447
Heavy Atom Count:59
Complexity:1630
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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