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CHEBI:72484 - N,O-(Dnp)2-Tyr-Gln

ChEBI IDCHEBI:72484
ChEBI NameN,O-(Dnp)2-Tyr-Gln
Stars
ASCII NameN,O-(Dnp)2-Tyr-Gln
DefinitionA dipeptide consisting of L-tyrosine substituted on nitrogen and oxygen by 2,4-dinitrophenyl groups and connected to L-glutamine via a peptide bond.
Last Modified21 February 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC26H23N7O13
Net Charge0
Average Mass641.506
Monoisotopic Mass641.13538
SMILESNC(=O)CC[C@H](NC(=O)[C@H](Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O
InChIInChI=1S/C26H23N7O13/c27-24(34)10-8-19(26(36)37)29-25(35)20(28-18-7-3-15(30(38)39)12-21(18)32(42)43)11-14-1-5-17(6-2-14)46-23-9-4-16(31(40)41)13-22(23)33(44)45/h1-7,9,12-13,19-20,28H,8,10-11H2,(H2,27,34)(H,29,35)(H,36,37)/t19-,20-/m0/s1
InChIKeyYYSIIHNUKRSEDJ-PMACEKPBSA-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)
N,O-(Dnp)2-Tyr-Gln (CHEBI:72484) has part 2,4-dinitrophenyl group (CHEBI:53018)
N,O-(Dnp)2-Tyr-Gln (CHEBI:72484) has role epitope (CHEBI:53000)
N,O-(Dnp)2-Tyr-Gln (CHEBI:72484) is a dipeptide (CHEBI:46761)
IUPAC Name 
N,O-bis(2,4-dinitrophenyl)-L-tyrosyl-L-glutamine
Synonym  Source
DNP2-TyrChEBI
Citations