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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:pederin
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Accession:CHEBI:78591 term browser browse the term
Definition:A polyketide and carboxamide produced by a (Pseudomonas) bacterial endosymbiont of certain rove beetles (genus Paederus). Pederin is the agent responsible for the vesicant effects (linear or Paederus dermatitis) when the beetle is crushed against the skin. It is a powerful inhibitor of protein biosynthesis and mitosis and a potent antitumour agent.
Synonyms:related_synonym: (2S)-N-[(S)-{(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-hydroxy-5,5-dimethyltetrahydro-2H-pyran-2-yl}(methoxy)methyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylenetetrahydro-2H-pyran-2-yl]acetamide;   paederine;   pederine
 xref: CAS:27973-72-4;   Patent:US7771972;   Reaxys:3598743;   kegg.compound:C15760;   pubmed:11077605;   pubmed:11166312;   pubmed:11886773;   pubmed:12057588;   pubmed:12381784;   pubmed:14695518;   pubmed:17645272;   pubmed:19206228;   pubmed:21268211;   pubmed:21426381;   pubmed:21902245;   pubmed:22444588;   pubmed:22772477;   pubmed:23581998;   pubmed:23898213;   pubmed:3295241;   pubmed:5959934;   wikipedia.en:Pederin
 chemrof_formula: C25H45NO9
 chemrof_smiles: C=C1C[C@](OC)([C@H](O)C(=O)N[C@@H](OC)[C@@H]2C[C@@H](O)C(C)(C)[C@@H](C[C@@H](COC)OC)O2)O[C@H](C)[C@@H]1C
 chemrof_inchi: InChI=1S/C25H45NO9/c1-14-12-25(33-9,35-16(3)15(14)2)21(28)22(29)26-23(32-8)18-11-19(27)24(4,5)20(34-18)10-17(31-7)13-30-6/h15-21,23,27-28H,1,10-13H2,2-9H3,(H,26,29)/t15-,16-,17+,18+,19-,20-,21-,23+,25-/m1/s1
 chemrof_inchikey: ZNEZZONMADKYTB-VRCUBXEUSA-N


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  CHEBI ontology 20874
    role 20844
      biological role 20831
        pharmacological role 19772
          antimitotic 2262
            pederin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20874
    subatomic particle 20883
      composite particle 20883
        hadron 20872
          baryon 20883
            nucleon 20872
              atomic nucleus 20883
                atom 20872
                  main group element atom 20796
                    p-block element atom 20796
                      carbon group element atom 20712
                        carbon atom 20706
                          organic molecular entity 20706
                            heteroorganic entity 20201
                              organochalcogen compound 19822
                                organooxygen compound 19713
                                  acetal 10808
                                    ketal 6130
                                      cyclic ketal 6065
                                        pederin 0
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