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

Default Structure
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:
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.
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.
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