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CHEBI:20408 - 4-hydroxylamino-2,6-dinitrotoluene

ChEBI IDCHEBI:20408
ChEBI Name4-hydroxylamino-2,6-dinitrotoluene
Stars
DefinitionA member of the class of nitrotoluenes that is 2,6-dinitrotoluene bearing an additional hydroxylamino substituent at position 4.
Last Modified17 May 2024
DownloadsMolfile
FormulaC7H7N3O5
Net Charge0
Average Mass213.149
Monoisotopic Mass213.03857
SMILESCc1c([N+](=O)[O-])cc(NO)cc1[N+](=O)[O-]
InChIInChI=1S/C7H7N3O5/c1-4-6(9(12)13)2-5(8-11)3-7(4)10(14)15/h2-3,8,11H,1H3
InChIKeyHTTDEAQRSCMCQS-UHFFFAOYSA-N
Roles Classification
Biological Role:
xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound.
ChEBI Ontology
Outgoing Relation(s)
4-hydroxylamino-2,6-dinitrotoluene (CHEBI:20408) has role xenobiotic metabolite (CHEBI:76206)
4-hydroxylamino-2,6-dinitrotoluene (CHEBI:20408) is a hydroxylamines (CHEBI:24709)
4-hydroxylamino-2,6-dinitrotoluene (CHEBI:20408) is a nitrotoluene (CHEBI:25566)
UniProt Name  Source
4-hydroxylamino-2,6-dinitrotolueneUniProt
Manual XrefsDatabases
C16392KEGG COMPOUND
CPD-10457MetaCyc
Registry NumbersSources
Reaxys:3084873Reaxys
CAS:59283-75-9KEGG COMPOUND
CAS:59283-75-9ChemIDplus