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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:Phe(4-NO2)-Gln
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Accession:CHEBI:72496 term browser browse the term
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.
Synonyms:exact_synonym: N-acetyl-4-nitro-L-phenylalanyl-L-glutamine
 related_synonym: Formula=C16H20N4O7;   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;   Phe(4-NO2);   SMILES=CC(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
 xref: PMID:22877585


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  CHEBI ontology 19840
    role 19816
      biological role 19814
        epitope 7033
          Phe(4-NO2)-Gln 0
Path 2
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  CHEBI ontology 19840
    subatomic particle 19838
      composite particle 19838
        hadron 19838
          baryon 19838
            nucleon 19838
              atomic nucleus 19838
                atom 19838
                  main group element atom 19788
                    p-block element atom 19788
                      carbon group element atom 19734
                        carbon atom 19730
                          organic molecular entity 19730
                            heteroorganic entity 19485
                              organochalcogen compound 19247
                                organooxygen compound 19165
                                  carbon oxoacid 18633
                                    carboxylic acid 18630
                                      carboacyl group 17702
                                        univalent carboacyl group 17702
                                          carbamoyl group 17552
                                            carboxamide 17552
                                              peptide 11127
                                                oligopeptide 1342
                                                  dipeptide 414
                                                    Phe(4-NO2)-Gln 0
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