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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:N-[[(2R,3S,4S)-1-acetyl-3-[4-(3-cyanophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-methylacetamide
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Accession:CHEBI:130742 term browser browse the term
Definition:A nitrile that has formula C23H25N3O3.
Synonyms:related_synonym: Formula=C23H25N3O3;   InChI=1S/C23H25N3O3/c1-15(28)25(3)13-21-23(22(14-27)26(21)16(2)29)19-9-7-18(8-10-19)20-6-4-5-17(11-20)12-24/h4-11,21-23,27H,13-14H2,1-3H3/t21-,22+,23-/m0/s1;   InChIKey=JPEKQWMSQCEZSD-ZRBLBEILSA-N;   SMILES=CC(=O)N1[C@H]([C@@H]([C@H]1CO)C2=CC=C(C=C2)C3=CC=CC(=C3)C#N)CN(C)C(=O)C
 xref: LINCS:LSM-42291


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Term Annotations click to browse term
  CHEBI ontology 19893
    chemical entity 19891
      group 19844
        pseudohalo group 4587
          cyano group 4587
            nitrile 4587
              N-[[(2R,3S,4S)-1-acetyl-3-[4-(3-cyanophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-methylacetamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19893
    subatomic particle 19891
      composite particle 19891
        hadron 19891
          baryon 19891
            nucleon 19891
              atomic nucleus 19891
                atom 19891
                  main group element atom 19830
                    p-block element atom 19830
                      carbon group element atom 19771
                        carbon atom 19767
                          organic molecular entity 19767
                            organic molecule 19719
                              organic cyclic compound 19509
                                carbocyclic compound 18598
                                  benzenoid aromatic compound 18031
                                    biphenyls 6269
                                      N-[[(2R,3S,4S)-1-acetyl-3-[4-(3-cyanophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-methylacetamide 0
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