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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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Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      biological role 0
        biochemical role 0
          metabolite 0
            alkaloid 0
              spermidine alkaloid 0
                celacinnine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic group 0
                              organic divalent group 0
                                organodiyl group 0
                                  carbonyl group 0
                                    carbonyl compound 0
                                      carboxylic acid 0
                                        carboacyl group 0
                                          univalent carboacyl group 0
                                            carbamoyl group 0
                                              carboxamide 0
                                                alpha,beta-unsaturated carboxylic acid amide 0
                                                  enamide 0
                                                    celacinnine 0
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