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CHEBI:72496 - Phe(4-NO2)-Gln

ChEBI IDCHEBI:72496
ChEBI NamePhe(4-NO2)-Gln
Stars
ASCII NamePhe(4-NO2)-Gln
DefinitionA dipeptide consisting of L-phenylalanine nitro-substituted at C-4 of the phenyl ring and connected to L-glutamine via a peptide bond.
Last Modified21 February 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC16H20N4O7
Net Charge0
Average Mass380.357
Monoisotopic Mass380.13320
SMILESCC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C16H20N4O7/c1-9(21)18-13(8-10-2-4-11(5-3-10)20(26)27)15(23)19-12(16(24)25)6-7-14(17)22/h2-5,12-13H,6-8H2,1H3,(H2,17,22)(H,18,21)(H,19,23)(H,24,25)/t12-,13-/m0/s1
InChIKeyOGNKZWAQLJPNLL-STQMWFEESA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
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)
Phe(4-NO2)-Gln (CHEBI:72496) has role epitope (CHEBI:53000)
Phe(4-NO2)-Gln (CHEBI:72496) is a dipeptide (CHEBI:46761)
IUPAC Name 
N-acetyl-4-nitro-L-phenylalanyl-L-glutamine
Synonym  Source
Phe(4-NO2)ChEBI
Citations