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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:cystodytin E
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Accession:CHEBI:65711 term browser browse the term
Definition:An alkaloid that is an enamide obtained by the formal condensation of tiglic acid with 6-(2-amino-1-hydroxyethyl)-4H-pyrido[2,3,4-kl]acridin-4-one. It is isolated from the Okinawan marine tunicate Cystodytes dellechiajei and exhibits cytotoxicity against human epidermoid carcinoma KB cells
Synonyms:exact_synonym: (2E)-N-[2-hydroxy-2-(4-oxo-4H-pyrido[2,3,4-kl]acridin-6-yl)ethyl]-2-methylbut-2-enamide
 related_synonym: Formula=C22H19N3O3;   InChI=1S/C22H19N3O3/c1-3-12(2)22(28)24-11-18(27)15-10-17(26)21-19-14(8-9-23-21)13-6-4-5-7-16(13)25-20(15)19/h3-10,18,27H,11H2,1-2H3,(H,24,28)/b12-3+;   InChIKey=KRUWAHKXRDZFIJ-KGVSQERTSA-N;   SMILES=C\\C=C(/C)C(=O)NCC(O)C1=CC(=O)c2nccc3c4ccccc4nc1c23
 xref: Chemspider:10473434;   PMID:1812214


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Term Annotations click to browse term
  CHEBI ontology 19821
    role 19769
      biological role 19769
        biochemical role 19389
          metabolite 19364
            cystodytin E 0
              cystodytin I 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19821
    subatomic particle 19819
      composite particle 19819
        hadron 19819
          baryon 19819
            nucleon 19819
              atomic nucleus 19819
                atom 19819
                  main group element atom 19716
                    p-block element atom 19716
                      carbon group element atom 19640
                        carbon atom 19630
                          organic molecular entity 19630
                            organic group 18737
                              organic divalent group 18728
                                organodiyl group 18728
                                  carbonyl group 18675
                                    carbonyl compound 18675
                                      carboxylic acid 18373
                                        monocarboxylic acid 17636
                                          fatty acid 16008
                                            unsaturated fatty acid 951
                                              monounsaturated fatty acid 451
                                                butenoic acid 31
                                                  2-butenoic acid 31
                                                    2-methylbut-2-enoic acid 0
                                                      tiglic acid 0
                                                        cystodytin E 0
                                                          cystodytin I 0
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