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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:(2S,3R,4S)-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-3-[4-[2-(2-methoxyphenyl)ethynyl]phenyl]-2-azetidinecarbonitrile
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Accession:CHEBI:95387 term browser browse the term
Definition:An azetidine that has formula C24H22N2O3.
Synonyms:related_synonym: Formula=C24H22N2O3;   InChI=1S/C24H22N2O3/c1-29-22-5-3-2-4-17(22)9-6-16-7-10-18(11-8-16)23-20(14-25)26(21(23)15-27)24(28)19-12-13-19/h2-5,7-8,10-11,19-21,23,27H,12-13,15H2,1H3/t20-,21-,23-/m1/s1;   InChIKey=VFHDDKSZNLSDOB-MQSCRBSSSA-N;   SMILES=COC1=CC=CC=C1C#CC2=CC=C(C=C2)[C@H]3[C@H](N([C@@H]3C#N)C(=O)C4CC4)CO
 xref: LINCS:LSM-6766


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  CHEBI ontology 19904
    chemical entity 19902
      molecular entity 19901
        polyatomic entity 19852
          molecule 19745
            cyclic compound 19540
              ring assembly 9228
                (2S,3R,4S)-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-3-[4-[2-(2-methoxyphenyl)ethynyl]phenyl]-2-azetidinecarbonitrile 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19904
    subatomic particle 19902
      composite particle 19902
        hadron 19902
          baryon 19902
            nucleon 19902
              atomic nucleus 19902
                atom 19902
                  main group element atom 19841
                    p-block element atom 19841
                      carbon group element atom 19779
                        carbon atom 19776
                          organic molecular entity 19776
                            organic molecule 19730
                              organic cyclic compound 19522
                                carbocyclic compound 18625
                                  benzenoid aromatic compound 18092
                                    benzenes 17969
                                      (2S,3R,4S)-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-3-[4-[2-(2-methoxyphenyl)ethynyl]phenyl]-2-azetidinecarbonitrile 0
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