ChemicalBook--->CAS DataBase List--->102185-37-5

102185-37-5

102185-37-5 Structure

102185-37-5 Structure
IdentificationBack Directory
[Name]

BENZOYL COENZYME A LITHIUM SALT
[CAS]

102185-37-5
[Synonyms]

Benzoyl CoA lithium salt
BENZOYL COENZYME A LITHIUM
BENZOYL COENZYME A LITHIUM SALT
Benzoyl coenzyme A lithium salt >=90%
coenzyme A benzoyl derivative, lithium salt
[Molecular Formula]

C28H39LiN7O17P3S
[MDL Number]

MFCD00078942
[MOL File]

102185-37-5.mol
[Molecular Weight]

877.57
Chemical PropertiesBack Directory
[storage temp. ]

-20°C
[form ]

Solid
[color ]

White to off-white
[InChIKey]

HBWPXONQNHVILU-UHFFFAOYSA-N
[SMILES]

[Li].CC(C)(COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n2cnc3c(N)ncnc23)C(O)C(=O)NCCC(=O)NCCSC(=O)c4ccccc4
Safety DataBack Directory
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

Benzoyl coenzyme A trilithium is an intermediate of the CoA-dependent epoxide pathway. Benzoyl coenzyme A trilithium can be used to study the metabolism of benzoate[1].
[General Description]

Benzoyl coenzyme A (Benzoyl CoA) is an intermediate in the CoA-dependent epoxide pathway, synthesized from benzoate in the presence of the enzyme benzoate-CoA ligase. It is further converted to 2,3-epoxybenzoyl-CoA and this step is catalyzed by benzoyl-CoA reductase (BoxA) and benzoyl-CoA oxygenase(BoxB).
[Biochem/physiol Actions]

Benzoyl coenzyme A (Benzoyl CoA) is a substrate of benzoyl-CoA reductase (box A) and a starter substrate for type-III polyketide synthase. It also acts as a substrate for plant enzymes biphenyl synthase (BIS) and benzophenone synthase (BPS). Benzoyl CoA is an effector of gentisate pathway of the bacteria, Comamonas testosteroni. It may also be used as a substrate for the characterization of specific alcohol acyltransferases and N-acyltransferase assays.
[IC 50]

Microbial Metabolite
[References]

[1] Sander K, et al. Expression of benzoyl-CoA metabolism genes in the lignocellulolytic host Caldicellulosiruptor bescii. AMB Express. 2019 May 4;9(1):59. DOI:10.1186/s13568-019-0783-8
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