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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 24513
    role 24426
      biological role 24393
        biochemical role 23782
          metabolite 23705
            alkaloid 5831
              spermidine alkaloid 0
                celacinnine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 24513
    subatomic particle 24471
      composite particle 24471
        hadron 24471
          baryon 24471
            nucleon 24471
              atomic nucleus 24471
                atom 24471
                  main group element atom 24329
                    p-block element atom 24329
                      carbon group element atom 24114
                        carbon atom 24076
                          organic molecular entity 24076
                            organic group 22409
                              organic divalent group 22386
                                organodiyl group 22386
                                  carbonyl group 22371
                                    carbonyl compound 22371
                                      carboxylic acid 21371
                                        carboacyl group 19576
                                          univalent carboacyl group 19576
                                            carbamoyl group 19004
                                              carboxamide 19004
                                                alpha,beta-unsaturated carboxylic acid amide 6978
                                                  enamide 6978
                                                    celacinnine 0
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