CoA disulfide
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CoA disulfide
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CAS No:
31664-36-5
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Formula:
C42H70N14O32P6S2
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Chemical Name:
CoA disulfide
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Synonyms:
Coenzyme A disulfide;Adenosine,3′-(dihydrogen phosphate) 5′-(trihydrogen pyrophosphate),5′→4:5′′′→4′-diester with N,N′-[dithiobis(ethyleneiminocarbonylethylene)]bis[2,4-dihydroxy-3,3-dimethylbutyramide];Adenosine,3′-phosphate 5′-pyrophosphate,5′,5′′′-diester with N,N′-[dithiobis(ethyleneiminocarbonylethylene)]bis[2,4-dihydroxy-3,3-dimethylbutyramide];Butyramide,N,N′-[dithiobis(ethyleneiminocarbonylethylene)]bis[2,4-dihydroxy-3,3-dimethyl-,5′,5′′′→4,4′-diester with adenosine 3′-(dihydrogen phosphate) 5′-(trihydrogen pyrophosphate);Oxidized coenzyme A;CoA-S-S-CoA;Oxidized CoA;CoA disulfide;24853-56-3;24853-58-5
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CAS No:
Description
ChEBI: An organic disulfide obtained via oxidative dimerisation of coenzyme A.
CoA-disulfide is an organic disulfide obtained via oxidative dimerisation of coenzyme A. It is a conjugate acid of a CoA-disulfide(8-).
Computed Properties
Molecular Weight:1533.1
XLogP3:-11.7
Hydrogen Bond Donor Count:18
Hydrogen Bond Acceptor Count:42
Rotatable Bond Count:39
Exact Mass:1532.2147704
Monoisotopic Mass:1532.2147704
Topological Polar Surface Area:744
Heavy Atom Count:96
Complexity:2760
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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