CHEBI:72496 - Phe(4-NO2)-Gln

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ChEBI Name Phe(4-NO2)-Gln
ChEBI ID CHEBI:72496
ChEBI ASCII Name Phe(4-NO2)-Gln
Definition A dipeptide consisting of L-phenylalanine nitro-substituted at C-4 of the phenyl ring 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 C16H20N4O7
Net Charge 0
Average Mass 380.35260
Monoisotopic Mass 380.13320
InChI InChI=1S/C16H20N4O7/c1-9(21)18-13(8-10-2-4-11(5-3-10)20(26)27)15(23)19-12(16(24)25)6-7-14(17)22/h2-5,12-13H,6-8H2,1H3,(H2,17,22)(H,18,21)(H,19,23)(H,24,25)/t12-,13-/m0/s1
InChIKey OGNKZWAQLJPNLL-STQMWFEESA-N
SMILES CC(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N[C@@H](CCC(N)=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 Phe(4-NO2)-Gln (CHEBI:72496) has role epitope (CHEBI:53000)
Phe(4-NO2)-Gln (CHEBI:72496) is a dipeptide (CHEBI:46761)
IUPAC Name
N-acetyl-4-nitro-L-phenylalanyl-L-glutamine
Synonym Source
Phe(4-NO2)
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