CHEBI:83448 - metribuzin-diketo

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ChEBI Name metribuzin-diketo
ChEBI ID CHEBI:83448
Definition A member of the class of 1,2,4-triazines that is 1,2,4-triazine-3,5(2H,4H)-dione substituted by an amino group at position 4 and a tert-butyl group at position 6. It is a metabolite of metribuzin.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C7H12N4O2
Net Charge 0
Average Mass 184.19580
Monoisotopic Mass 184.09603
InChI InChI=1S/C7H12N4O2/c1-7(2,3)4-5(12)11(8)6(13)10-9-4/h8H2,1-3H3,(H,10,13)
InChIKey AHBXXEZLRFCZSF-UHFFFAOYSA-N
SMILES CC(C)(C)c1n[nH]c(=O)n(N)c1=O
Roles Classification
Biological Role(s): marine xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
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ChEBI Ontology
Outgoing metribuzin-diketo (CHEBI:83448) has role marine xenobiotic metabolite (CHEBI:83399)
metribuzin-diketo (CHEBI:83448) is a 1,2,4-triazines (CHEBI:39410)
metribuzin-diketo (CHEBI:83448) is a diketone (CHEBI:46640)
IUPAC Name
4-amino-6-tert-butyl-1,2,4-triazine-3,5(2H,4H)-dione
Registry Numbers Types Sources
4441906 Reaxys Registry Number Reaxys
56507-37-0 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
16893770 PubMed citation Europe PMC
Last Modified
05 November 2014
General Comments
2014-10-29 Suggested Classification: ISA:lactam(CHEBI:24995); ISA:organonitrogen compound(CHEBI:35352);
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag
2014-10-29 Metabolite of Metribuzin