Coenzyme A, S-[(2E)-3-(4-hydroxyphenyl)-2-propenoate]
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![Coenzyme A, S-[(2E)-3-(4-hydroxyphenyl)-2-propenoate] structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/788ce0fb363d456f81c3d831051e7229.png "Coenzyme A, S-[(2E)-3-(4-hydroxyphenyl)-2-propenoate]")
Coenzyme A, S-[(2E)-3-(4-hydroxyphenyl)-2-propenoate]
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CAS No:
119785-99-8
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Formula:
C30H42N7O18P3S
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Chemical Name:
Coenzyme A, S-[(2E)-3-(4-hydroxyphenyl)-2-propenoate]
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Synonyms:
Coenzyme A,S-[(2E)-3-(4-hydroxyphenyl)-2-propenoate];Coenzyme A,S-[3-(4-hydroxyphenyl)-2-propenoate],(E)-;(E)-p-Coumaroyl-CoA
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CAS No:
Description
4-coumaroyl-CoA is the S-(4-coumaroyl) derivative of coenzyme A. It is a 2-enoyl-CoA and a monounsaturated fatty acyl-CoA. It derives from a 4-coumaric acid and a cinnamoyl-CoA. It is a conjugate acid of a 4-coumaroyl-CoA(4-).
Coenzyme A, S-[(2E)-3-(4-hydroxyphenyl)-2-propenoate] Use and Manufacturing
Fatty Acyls [FA] -> Fatty esters [FA07] -> Fatty acyl CoAs [FA0705]
Computed Properties
Molecular Weight:913.7
XLogP3:-3.9
Hydrogen Bond Donor Count:10
Hydrogen Bond Acceptor Count:23
Rotatable Bond Count:22
Exact Mass:913.15198968
Monoisotopic Mass:913.15198968
Topological Polar Surface Area:409
Heavy Atom Count:59
Complexity:1620
Defined Atom Stereocenter Count:5
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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