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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:SU1498
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Accession:CHEBI:87158 term browser browse the term
Definition:A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2E)-2-cyano-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]prop-2-enoic acid with the amino group of 3-phenylpropylamine.
Synonyms:exact_synonym: (2E)-2-cyano-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-N-(3-phenylpropyl)prop-2-enamide
 related_synonym: Formula=C25H30N2O2;   InChI=1S/C25H30N2O2/c1-17(2)22-14-20(15-23(18(3)4)24(22)28)13-21(16-26)25(29)27-12-8-11-19-9-6-5-7-10-19/h5-7,9-10,13-15,17-18,28H,8,11-12H2,1-4H3,(H,27,29)/b21-13+;   InChIKey=JANPYFTYAGTSIN-FYJGNVAPSA-N;   SMILES=CC(C)c1cc(\\C=C(/C#N)C(=O)NCCCc2ccccc2)cc(C(C)C)c1O;   SU 1498
 xref: PMID:14625306;   PMID:19517030;   PMID:26167115;   Reaxys:13590854



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Path 1
Term Annotations click to browse term
  CHEBI ontology 19727
    chemical entity 19725
      group 19687
        pseudohalo group 3933
          cyano group 3933
            nitrile 3933
              SU1498 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19727
    subatomic particle 19725
      composite particle 19725
        hadron 19725
          baryon 19725
            nucleon 19725
              atomic nucleus 19725
                atom 19725
                  main group element atom 19673
                    p-block element atom 19673
                      carbon group element atom 19618
                        carbon atom 19614
                          organic molecular entity 19614
                            organic group 18827
                              organic divalent group 18812
                                organodiyl group 18812
                                  carbonyl group 18778
                                    carbonyl compound 18778
                                      carboxylic acid 18499
                                        carboacyl group 17645
                                          univalent carboacyl group 17645
                                            carbamoyl group 17486
                                              carboxamide 17486
                                                alpha,beta-unsaturated carboxylic acid amide 7062
                                                  enamide 7062
                                                    SU1498 0
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