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CHEBI:53067 - 2,4,6-trinitrophenyl group

ChEBI IDCHEBI:53067
ChEBI Name2,4,6-trinitrophenyl group
Stars
DefinitionAn organyl group consisting of a benzene ring with three nitro substituents at positions 2, 4 and 6 relative to the point of attachment.
Last Modified11 March 2019
SubmitterSteve
DownloadsMolfile
FormulaC6H2N3O6
Net Charge0
Average Mass212.097
Monoisotopic Mass211.99436
SMILES*c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]
Roles Classification
Biological Roles:
allergen  A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
ChEBI Ontology
Outgoing Relation(s)
2,4,6-trinitrophenyl group (CHEBI:53067) has role allergen (CHEBI:50904)
2,4,6-trinitrophenyl group (CHEBI:53067) has role epitope (CHEBI:53000)
2,4,6-trinitrophenyl group (CHEBI:53067) is a organyl group (CHEBI:33249)
Incoming Relation(s)
Tnp-Gln (CHEBI:72495) has part 2,4,6-trinitrophenyl group (CHEBI:53067)
Synonyms  Source
2,4,6-trinitrophenylChEBI
TNPChEBI
trinitrophenylChEBI
Citations