3,4-pentadienoyl-coenzyme A
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3,4-pentadienoyl-coenzyme A
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CAS No:
84061-72-3
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Formula:
C26H40N7O17P3S
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Chemical Name:
3,4-pentadienoyl-coenzyme A
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Synonyms:
3,4-pentadienoyl-CoA;3,4-pentadienoyl-coenzyme A;coenzyme A, 3,4-pentadienoyl-;3,4-Pentadienoyl-coa;Coenzyme A, 3,4-pentadienoyl-;3,4-Pentadienoyl-coenzyme A;SCHEMBL5832446;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] penta-3,4-dienethioate;Coenzyme A, 8-chloro-N,N-dimethyl-6-phenyl-, (2S-(1(R*(R*)),2alpha,3abeta,7abeta))-
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CAS No:
Computed Properties
Molecular Weight:847.6
XLogP3:-5.3
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:22
Rotatable Bond Count:22
Exact Mass:847.14142500
Monoisotopic Mass:847.14142500
Topological Polar Surface Area:389
Heavy Atom Count:54
Complexity:1520
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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