Coenzyme A, S-(3-oxohexadecanoate)
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Coenzyme A, S-(3-oxohexadecanoate)
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CAS No:
34619-89-1
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Formula:
C37H64N7O18P3S
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Chemical Name:
Coenzyme A, S-(3-oxohexadecanoate)
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Synonyms:
Coenzyme A,S-(3-oxohexadecanoate);S-(3-Ketohexadecanoyl)coenzyme A;3-Oxopalmitoyl-CoA;3-Oxohexadecanoyl-CoA;β-Ketopalmitoyl-coenzyme A
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CAS No:
Description
3-oxopalmitoyl-CoA is the S-(3-oxopalmitoyl) derivative of coenzyme A. It has a role as an Escherichia coli metabolite and a mouse metabolite. It derives from a palmitoyl-CoA and a 3-oxopalmitic acid. It is a conjugate acid of a 3-oxopalmitoyl-CoA(4-).
Coenzyme A, S-(3-oxohexadecanoate) Use and Manufacturing
Fatty Acyls [FA] -> Fatty esters [FA07] -> Fatty acyl CoAs [FA0705]
Computed Properties
Molecular Weight:1019.9
XLogP3:0.5
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:23
Rotatable Bond Count:34
Exact Mass:1019.32414038
Monoisotopic Mass:1019.32414038
Topological Polar Surface Area:406
Heavy Atom Count:66
Complexity:1700
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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