premycofactocin (CHEBI:150862)

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ChEBI Name	premycofactocin

ChEBI ID	CHEBI:150862

Definition	A member of the class of pyrrolidin-2-ones that is pyrrolidine-2,3-dione which is substituted by two methyl groups at position 4 and by a 4-hydroxybenzyl group at position 5. It is a biologically active redox cofactor used by Mycobacterium smegmatis carveol dehydrogenase in the oxidation of carveol.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Kristian Axelsen

Supplier Information

Download	Molfile XML SDF

Formula

C13H15NO3

Net Charge

Average Mass

233.267

Monoisotopic Mass

233.10519

InChI

InChI=1S/C13H15NO3/c1-13(2)10(14-12(17)11(13)16)7-8-3-5-9(15)6-4-8/h3-6,10,15H,7H2,1-2H3,(H,14,17)

InChIKey

MNKCCFOQDGJSLR-UHFFFAOYSA-N

SMILES

C1(C(NC(C1=O)=O)CC=2C=CC(=CC2)O)(C)C

Roles Classification
Biological Role(s):	bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. cofactor An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).

ChEBI Ontology
Outgoing	premycofactocin (CHEBI:150862) has role bacterial metabolite (CHEBI:76969) premycofactocin (CHEBI:150862) has role cofactor (CHEBI:23357) premycofactocin (CHEBI:150862) is a phenols (CHEBI:33853) premycofactocin (CHEBI:150862) is a pyrrolidin-2-ones (CHEBI:74223)

Incoming	premycofactocinol (CHEBI:156521) has functional parent premycofactocin (CHEBI:150862)

IUPAC Name

5-(4-hydroxybenzyl)-4,4-dimethylpyrrolidine-2,3-dione

Synonyms	Sources
5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidine-2,3-dione	IUPAC
pre-mycofactocin	UniProt
premycofactocin	ChEBI

Last Modified

18 September 2020