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Home > Encyclopedia > Coenzyme A, S-(3-oxohexanoate)

Coenzyme A, S-(3-oxohexanoate)

Coenzyme A, S-(3-oxohexanoate) structure

Coenzyme A, S-(3-oxohexanoate) 

structure
  • CAS No:

    19774-86-8

  • Formula:

    C27H44N7O18P3S

  • Chemical Name:

    Coenzyme A, S-(3-oxohexanoate)

  • Synonyms:

    Coenzyme A,S-(3-oxohexanoate);β-Ketohexanoyl coenzyme A;3-Oxohexanoyl coenzyme A;3-Ketohexanoyl-CoA

Description

3-oxohexanoyl-CoA is an oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxylic acid group of 3-oxohexanoic acid. It has a role as a human metabolite, an Escherichia coli metabolite and a mouse metabolite. It derives from a hexanoyl-CoA and a 3-oxohexanoic acid. It is a conjugate acid of a 3-oxohexanoyl-CoA(4-).

Coenzyme A, S-(3-oxohexanoate) Basic Attributes

879.7 g/mol

879.66

Characteristics

406 Ų

Drug Information

3-ketohexanoyl-CoA

Coenzyme A, S-(3-oxohexanoate) Use and Manufacturing

Fatty Acyls [FA] -> Fatty esters [FA07] -> Fatty acyl CoAs [FA0705]

Computed Properties

Molecular Weight:879.7
XLogP3:-5
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:23
Rotatable Bond Count:24
Exact Mass:879.16763975
Monoisotopic Mass:879.16763975
Topological Polar Surface Area:406
Heavy Atom Count:56
Complexity:1530
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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