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CHEBI:72486 - Dnp-Asn-Gln

ChEBI IDCHEBI:72486
ChEBI NameDnp-Asn-Gln
Stars
DefinitionA dipeptide consisting of L-asparagine substituted on the α-nitrogen by a 2,4-dinitrophenyl group and connected to L-glutamine via a peptide bond.
Last Modified21 February 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC15H18N6O9
Net Charge0
Average Mass426.342
Monoisotopic Mass426.11353
SMILESNC(=O)CC[C@H](NC(=O)[C@H](CC(N)=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O
InChIInChI=1S/C15H18N6O9/c16-12(22)4-3-9(15(25)26)19-14(24)10(6-13(17)23)18-8-2-1-7(20(27)28)5-11(8)21(29)30/h1-2,5,9-10,18H,3-4,6H2,(H2,16,22)(H2,17,23)(H,19,24)(H,25,26)/t9-,10-/m0/s1
InChIKeyVLAKYRWCMVUMIC-UWVGGRQHSA-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)
Dnp-Asn-Gln (CHEBI:72486) has part 2,4-dinitrophenyl group (CHEBI:53018)
Dnp-Asn-Gln (CHEBI:72486) has role epitope (CHEBI:53000)
Dnp-Asn-Gln (CHEBI:72486) is a dipeptide (CHEBI:46761)
IUPAC Name 
N2-(2,4-dinitrophenyl)-L-asparaginyl-L-glutamine
Synonym  Source
DPN-AsnChEBI
Citations