CHEBI:72488 - Dnp-Trp-Gln

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Dnp-Trp-Gln
ChEBI ID CHEBI:72488
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C22H22N6O8
Net Charge 0
Average Mass 498.44550
Monoisotopic Mass 498.14991
InChI InChI=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
InChIKey SJTCEKJCCJBARK-ROUUACIJSA-N
SMILES NC(=O)CC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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-Trp
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