Stearoyl-CoA
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Stearoyl-CoA
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CAS No:
362-66-3
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Formula:
C39H70N7O17P3S
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Chemical Name:
Stearoyl-CoA
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Synonyms:
Coenzyme A,S-octadecanoate;Coenzyme A,S-stearate;Stearoyl coenzyme A;Stearyl coenzyme A;Stearoyl-CoA;Stearyl-CoA;Stearoyl coenzyme A ester;Octadecanoyl-CoA;Octadecanoyl-coenzyme A;2420-74-8;1400988-61-5
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CAS No:
Description
ChEBI: A long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of stearic acid.
Solid
Stearoyl-CoA is a long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of stearic acid. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is a long-chain fatty acyl-CoA and an 11,12-saturated fatty acyl-CoA. It derives from an octadecanoic acid. It is a conjugate acid of a stearoyl-CoA(4-).
Characteristics
418.36000
6.28920
302.9 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|301.81 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]
Stearoyl-CoA Use and Manufacturing
Fatty Acyls [FA] -> Fatty esters [FA07] -> Fatty acyl CoAs [FA0705]
Computed Properties
Molecular Weight:1034.0
XLogP3:2.8
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:22
Rotatable Bond Count:36
Exact Mass:1033.37617596
Monoisotopic Mass:1033.37617596
Topological Polar Surface Area:389
Heavy Atom Count:67
Complexity:1660
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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