tyrvalin (CHEBI:167319)

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ChEBI Name	tyrvalin

ChEBI ID	CHEBI:167319

Definition	A member of the class of pyrazinones that is pyrazin-2(1H)-one substituted by an isopropyl and (4-hydroxyphenyl)methyl groups at positions 3 and 6, respectively. It is a natural product found in Staphylococcus aureus.

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

Submitter	Martin Larralde

Supplier Information

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Formula

C14H16N2O2

Net Charge

Average Mass

244.294

Monoisotopic Mass

244.12118

InChI

InChI=1S/C14H16N2O2/c1-9(2)13-14(18)16-11(8-15-13)7-10-3-5-12(17)6-4-10/h3-6,8-9,17H,7H2,1-2H3,(H,16,18)

InChIKey

OVNQNQOVBVQZCE-UHFFFAOYSA-N

SMILES

CC(C)C1=NC=C(CC2=CC=C(O)C=C2)NC1=O

Metabolite of Species	Details
Staphylococcus aureus (NCBI:txid1280)	of strain RN4220 See: PubMed

Roles Classification
Biological Role(s):	bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria.

ChEBI Ontology
Outgoing	tyrvalin (CHEBI:167319) has role bacterial metabolite (CHEBI:76969) tyrvalin (CHEBI:167319) is a phenols (CHEBI:33853) tyrvalin (CHEBI:167319) is a pyrazinone (CHEBI:167376)

IUPAC Name

6-(4-hydroxybenzyl)-3-(propan-2-yl)pyrazin-2(1H)-one

Synonyms	Sources
6-(4-hydroxybenzyl)-3-isopropylpyrazin-2(1H)-one	ChEBI
6-[(4-hydroxyphenyl)methyl]-3-(1-methylethyl)-2(1H)-pyrazinone	ChEBI
6-[(4-hydroxyphenyl)methyl]-3-(propan-2-yl)-1,2-dihydropyrazin-2-one	ChEBI
6-[(4-hydroxyphenyl)methyl]-3-(propan-2-yl)pyrazin-2(1H)-one	ChEBI
6-[(4-hydroxyphenyl)methyl]-3-isopropyl-1H-pyrazin-2-one	ChEBI
aureusamine A	SUBMITTER
aureusimine A	SUBMITTER

Registry Number	Type	Source
1244033-70-2	CAS Registry Number	SUBMITTER

Last Modified

26 January 2021