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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:83447 - metamitron-desamino
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ChEBI Name
metamitron-desamino
ChEBI ID
CHEBI:83447
Definition
A member of the class of 1,2,4-triazines that is metamitron in which the amino group has been replaced by a hydrogen atom. It is a metabolite of metamitron.
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This entity has been manually annotated by the ChEBI Team.
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Molfile
Formula
C10H9N3O
Net Charge
0
Average Mass
187.19800
Monoisotopic Mass
187.07456
InChI
InChI=1S/C10H9N3O/c1-7-11-10(14)9(13-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,12,14)
InChIKey
OUSYWCQYMPDAEO-UHFFFAOYSA-N
SMILES
Cc1nnc(-c2ccccc2)c(=O)[nH]1
Roles Classification
Biological Role
(s):
marine xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
metamitron-desamino (
CHEBI:83447
)
has functional parent
metamitron (
CHEBI:6791
)
metamitron-desamino (
CHEBI:83447
)
has role
marine xenobiotic metabolite (
CHEBI:83399
)
metamitron-desamino (
CHEBI:83447
)
is a
1,2,4-triazines (
CHEBI:39410
)
IUPAC Name
3-methyl-6-phenyl-1,2,4-triazin-5(4
H
)-one
Synonym
Source
deaminometamitron
ChEBI
Registry Numbers
Types
Sources
36993-94-9
CAS Registry Number
ChemIDplus
514474
Reaxys Registry Number
Reaxys
Citations
Types
Sources
13129305
PubMed citation
Europe PMC
16484082
PubMed citation
Europe PMC
22047469
PubMed citation
Europe PMC
Last Modified
04 November 2014
General Comments
2014-10-29
Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag
2014-10-29
Metabolite of Metamitron
2014-10-29
Suggested Classification: ISA:benzenes(CHEBI:22712); ISA:lactam(CHEBI:24995); ISA:organonitrogen compound(CHEBI:35352);