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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:celacinnine
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Accession:CHEBI:132186 term browser browse the term
Definition:A spermidine alkaloid that is isolated from Maytenus heterophylla and Maytenus senegalensis.
Synonyms:exact_synonym: (2S)-2-phenyl-9-[(2E)-3-phenylprop-2-enoyl]-1,5,9-triazacyclotridecan-4-one
 related_synonym: (S)-celacinnine;   Formula=C25H31N3O2;   InChI=1S/C25H31N3O2/c29-24-20-23(22-12-5-2-6-13-22)26-16-7-8-18-28(19-9-17-27-24)25(30)15-14-21-10-3-1-4-11-21/h1-6,10-15,23,26H,7-9,16-20H2,(H,27,29)/b15-14+/t23-/m0/s1;   InChIKey=OROFOUPCOTVAJQ-NSFRLNINSA-N;   SMILES=C1C(NCCCN(CCCCN[C@@H]1C=2C=CC=CC2)C(/C=C/C=3C=CC=CC3)=O)=O
 xref: CAS:53938-05-9;   PMID:22470236;   PMID:26487315;   PMID:6452921;   Reaxys:4720682


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19771
    role 19716
      biological role 19716
        biochemical role 19304
          metabolite 19286
            alkaloid 5635
              spermidine alkaloid 0
                celacinnine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19771
    subatomic particle 19770
      composite particle 19770
        hadron 19770
          baryon 19770
            nucleon 19770
              atomic nucleus 19770
                atom 19770
                  main group element atom 19658
                    p-block element atom 19658
                      carbon group element atom 19574
                        carbon atom 19564
                          organic molecular entity 19564
                            organic group 18599
                              organic divalent group 18590
                                organodiyl group 18590
                                  carbonyl group 18505
                                    carbonyl compound 18505
                                      carboxylic acid 18157
                                        carboacyl group 17416
                                          univalent carboacyl group 17416
                                            carbamoyl group 17213
                                              carboxamide 17213
                                                alpha,beta-unsaturated carboxylic acid amide 6676
                                                  enamide 6676
                                                    celacinnine 0
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