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CHEBI:72495 - Tnp-Gln

ChEBI IDCHEBI:72495
ChEBI NameTnp-Gln
Stars
DefinitionAn L-α-amino acid that is L-glutamine substituted at the α-nitrogen by a 2,4,6-trinitrophenyl group.
Last Modified26 March 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC11H11N5O9
Net Charge0
Average Mass357.235
Monoisotopic Mass357.05568
SMILESNC(=O)CC[C@H](Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O
InChIInChI=1S/C11H11N5O9/c12-9(17)2-1-6(11(18)19)13-10-7(15(22)23)3-5(14(20)21)4-8(10)16(24)25/h3-4,6,13H,1-2H2,(H2,12,17)(H,18,19)/t6-/m0/s1
InChIKeyMNHDZOJOBSZDLO-LURJTMIESA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
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)
Tnp-Gln (CHEBI:72495) has part 2,4,6-trinitrophenyl group (CHEBI:53067)
Tnp-Gln (CHEBI:72495) has role epitope (CHEBI:53000)
Tnp-Gln (CHEBI:72495) is a C-nitro compound (CHEBI:35716)
Tnp-Gln (CHEBI:72495) is a L-glutamine derivative (CHEBI:24317)
Tnp-Gln (CHEBI:72495) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
IUPAC Name 
N2-(2,4,6-trinitrophenyl)-L-glutamine
Synonyms  Source
TNP-GluChEBI
TNT-GluChEBI
Citations