Coenzyme A, 2-pentynoyl
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Coenzyme A, 2-pentynoyl
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CAS No:
98482-18-9
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Formula:
C26H40N7O18P3S
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Chemical Name:
Coenzyme A, 2-pentynoyl
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Synonyms:
2-pentynoyl CoA;2-pentynoyl-coenzyme A;coenzyme A, 2-pentynoyl;98482-18-9;2-Pentynoyl-coenzyme A;Coenzyme A, 2-pentynoyl;DTXSID80913260;2-Pentynoyl CoA; (Acyl-CoA); [M+H]+;;9-{5-O-[Hydroxy({hydroxy[(3,4,8-trihydroxy-2,2-dimethyl-14-oxo-13-oxa-12-thia-5,9-diazaoctadeca-4,8-dien-15-yn-1-yl)oxy]phosphoryl}oxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine
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CAS No:
Computed Properties
Molecular Weight:863.6
XLogP3:-4.3
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:23
Rotatable Bond Count:21
Exact Mass:863.13633962
Monoisotopic Mass:863.13633962
Topological Polar Surface Area:398
Heavy Atom Count:55
Complexity:1560
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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