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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:methyl 4-nitrophenylalaninate
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Accession:CHEBI:48495 term browser browse the term
Definition:A phenylalanine derivative that is methyl phenylalaninate substituted by a nitro group at position 4 on the benzene ring.
Synonyms:related_synonym: Formula=C10H12N2O4;   InChI=1S/C10H12N2O4/c1-16-10(13)9(11)6-7-2-4-8(5-3-7)12(14)15/h2-5,9H,6,11H2,1H3;   InChIKey=FUFUQQWIXMPZFU-UHFFFAOYSA-N;   SMILES=COC(=O)C(N)Cc1ccc(cc1)[N+]([O-])=O;   methyl 2-amino-3-(4-nitrophenyl)propanoate
 xref: Patent:EP1870402



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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19834
    role 19810
      chemical role 19445
        fuel additive 3249
          toluene 3238
            benzyl group 2646
              phenylalanine 2646
                phenylalanine derivative 2612
                  methyl 4-nitrophenylalaninate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19834
    subatomic particle 19832
      composite particle 19832
        hadron 19832
          baryon 19832
            nucleon 19832
              atomic nucleus 19832
                atom 19832
                  main group element atom 19782
                    main group molecular entity 19782
                      s-block molecular entity 19620
                        hydrogen molecular entity 19607
                          hydrides 19105
                            organic hydride 18665
                              organic fundamental parent 18665
                                hydrocarbon 18401
                                  cyclic hydrocarbon 17223
                                    monocyclic hydrocarbon 6144
                                      annulene 5795
                                        aromatic annulene 5795
                                          benzene 5795
                                            alkylbenzene 3506
                                              methylbenzene 3367
                                                toluene 3238
                                                  benzyl group 2646
                                                    phenylalanine 2646
                                                      phenylalanine derivative 2612
                                                        methyl 4-nitrophenylalaninate 0
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