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CHEBI:167319 - tyrvalin

ChEBI IDCHEBI:167319
ChEBI Nametyrvalin
Stars
DefinitionA 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.
Last Modified26 January 2021
SubmitterMartin Larralde
DownloadsMolfile
FormulaC14H16N2O2
Net Charge0
Average Mass244.294
Monoisotopic Mass244.12118
SMILESCC(C)c1ncc(Cc2ccc(O)cc2)nc1=O
InChIInChI=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)
InChIKeyOVNQNQOVBVQZCE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Staphylococcus aureus (ncbitaxon:1280) - PubMed (20851341) Strain: RN4220
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
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  Source
aureusamine ASUBMITTER
aureusimine ASUBMITTER
6-[(4-hydroxyphenyl)methyl]-3-(1-methylethyl)-2(1H)-pyrazinoneChEBI
6-(4-hydroxybenzyl)-3-isopropylpyrazin-2(1H)-oneChEBI
6-[(4-hydroxyphenyl)methyl]-3-(propan-2-yl)pyrazin-2(1H)-oneChEBI
6-[(4-hydroxyphenyl)methyl]-3-(propan-2-yl)-1,2-dihydropyrazin-2-oneChEBI
Registry NumbersSources
CAS:1244033-70-2SUBMITTER
Citations