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

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ChEBI Name N,O-(Dnp)2-Tyr-Gln
ChEBI ID CHEBI:72484
ChEBI ASCII Name N,O-(Dnp)2-Tyr-Gln
Definition A dipeptide consisting of L-tyrosine substituted on nitrogen and oxygen by 2,4-dinitrophenyl groups and connected to L-glutamine via a peptide bond.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H23N7O13
Net Charge 0
Average Mass 641.49990
Monoisotopic Mass 641.13538
InChI InChI=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
InChIKey YYSIIHNUKRSEDJ-PMACEKPBSA-N
SMILES NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccc(Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)cc1)Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): 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.
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ChEBI Ontology
Outgoing 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-Tyr
Note: (2013-02-21) This synonym, used in PMID:22877585, does not indicate the presence of the glutamine residue.
 ChEBI
Citation Waiting for Citations Type Source
22877585 PubMed citation Europe PMC
Last Modified
21 February 2013