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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 240
    role 240
      biological role 240
        biochemical role 201
          metabolite 194
            alkaloid 14
              spermidine alkaloid 0
                celacinnine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 240
    subatomic particle 240
      composite particle 240
        hadron 240
          baryon 240
            nucleon 240
              atomic nucleus 240
                atom 240
                  main group element atom 233
                    p-block element atom 233
                      carbon group element atom 222
                        carbon atom 221
                          organic molecular entity 221
                            organic group 155
                              organic divalent group 154
                                organodiyl group 154
                                  carbonyl group 154
                                    carbonyl compound 154
                                      carboxylic acid 115
                                        carboacyl group 49
                                          univalent carboacyl group 49
                                            carbamoyl group 46
                                              carboxamide 46
                                                alpha,beta-unsaturated carboxylic acid amide 0
                                                  enamide 0
                                                    celacinnine 0
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