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aplysiatoxin - Ontology Report - Rat Genome Database

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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:aplysiatoxin
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Accession:CHEBI:80716 term browser browse the term
Definition:The parent member of the class of aplysiatoxins. It is a cyanotoxin produced by several species of freshwater and marine cyanobacteria, as well as algae and molluscs.
Synonyms:related_synonym: (1S,3R,4S,9R,13S,14R)-3-[(2S,5S)-5-(2-bromo-5-hydroxyphenyl)-5-methoxypentan-2-yl]-13-hydroxy-9-[(1R)-1-hydroxyethyl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1(1,5)]octadecane-7,11-dione;   ATX;   Formula=C32H47BrO10;   InChI=1S/C32H47BrO10/c1-17(8-11-24(39-7)22-12-21(35)9-10-23(22)33)29-19(3)26-15-32(42-29)30(5,6)14-18(2)31(38,43-32)16-28(37)40-25(20(4)34)13-27(36)41-26/h9-10,12,17-20,24-26,29,34-35,38H,8,11,13-16H2,1-7H3/t17-,18+,19-,20+,24-,25+,26?,29+,31-,32-/m0/s1;   InChIKey=RHJPBGWFGOAEID-FAXOFGCBSA-N;   SMILES=[C@@]123O[C@]([C@H](C)CC1(C)C)(CC(O[C@@]([C@@H](C)O)(CC(OC(C2)[C@H](C)[C@](O3)([C@H](CC[C@@H](C=4C(=CC=C(C4)O)Br)OC)C)[H])=O)[H])=O)O
 xref: CAS:52659-57-1;   KEGG:C16769;   PMID:24394406;   PMID:25421266;   PMID:3924698;   PMID:4833645;   PMID:6299522;   PMID:6299973;   PMID:6316505;   PMID:6400920;   PMID:8843576;   Reaxys:4628307;   Wikipedia:Aplysiatoxin

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  CHEBI ontology 20845
    role 20805
      biological role 20803
        aetiopathogenetic role 19841
          carcinogenic agent 18919
            aplysiatoxin 0
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  CHEBI ontology 20845
    subatomic particle 20843
      composite particle 20843
        hadron 20843
          baryon 20843
            nucleon 20843
              atomic nucleus 20843
                atom 20843
                  main group element atom 20766
                    p-block element atom 20766
                      carbon group element atom 20699
                        carbon atom 20693
                          organic molecular entity 20693
                            heteroorganic entity 20202
                              organochalcogen compound 19890
                                organooxygen compound 19792
                                  ester 17771
                                    carboxylic ester 17149
                                      lactone 13357
                                        macrocyclic lactone 7616
                                          macrolide 7564
                                            macropolylide 758
                                              macrodiolide 755
                                                aplysiatoxins 0
                                                  aplysiatoxin 0
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