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CHEBI:72488 - Dnp-Trp-Gln

ChEBI IDCHEBI:72488
ChEBI NameDnp-Trp-Gln
Stars
DefinitionA dipeptide consisting of L-tryptophan 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
FormulaC22H22N6O8
Net Charge0
Average Mass498.452
Monoisotopic Mass498.14991
SMILESNC(=O)CC[C@H](NC(=O)[C@H](Cc1cnc2ccccc12)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O
InChIInChI=1S/C22H22N6O8/c23-20(29)8-7-17(22(31)32)26-21(30)18(9-12-11-24-15-4-2-1-3-14(12)15)25-16-6-5-13(27(33)34)10-19(16)28(35)36/h1-6,10-11,17-18,24-25H,7-9H2,(H2,23,29)(H,26,30)(H,31,32)/t17-,18-/m0/s1
InChIKeySJTCEKJCCJBARK-ROUUACIJSA-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-Trp-Gln (CHEBI:72488) has part 2,4-dinitrophenyl group (CHEBI:53018)
Dnp-Trp-Gln (CHEBI:72488) has role epitope (CHEBI:53000)
Dnp-Trp-Gln (CHEBI:72488) is a dipeptide (CHEBI:46761)
IUPAC Name 
N-(2,4-dinitrophenyl)-L-tryptophyl-L-glutamine
Synonym  Source
DNP-TrpChEBI
Citations