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ONTOLOGY REPORT - ANNOTATIONS


Term:7-epi-cylindrospermopsin
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Accession:CHEBI:88049 term browser browse the term
Definition:A triazaacenaphthylene that is 2,2a,3,4,5,5a,6,7-octahydro-1H-1,8,8b-triazaacenaphthylene which is substituted at positions 3, 4, and 7 by methyl, sulfooxy, and (2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)(hydroxy)methyl groups, respectively (the 2aS,3R,4S,5aS,7R stereoisomer in which the carbon bearing the hydroxy group has S configuration). It is a cyanotoxin produced by several species of freshwater cyanobacteria, such as Aphanizomenon ovalisporum.
Synonyms:exact_synonym: (2aS,3R,4S,5aS,7R)-7-[(S)-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)(hydroxy)methyl]-3-methyl-2a,3,4,5,5a,6,7,8-octahydro-2H-1,8,8b-triazaacenaphthylen-4-yl hydrogen sulfate
 related_synonym: (-)-Epicyclindrospermopsin;   7-epicylindrospermopsin;   Formula=C15H21N5O7S;   InChI=1S/C15H21N5O7S/c1-6-10-5-16-14-17-8(13(22)9-4-12(21)19-15(23)18-9)2-7(20(10)14)3-11(6)27-28(24,25)26/h4,6-8,10-11,13,22H,2-3,5H2,1H3,(H,16,17)(H,24,25,26)(H2,18,19,21,23)/t6-,7+,8-,10-,11+,13+/m1/s1;   InChIKey=LHJPHMKIGRLKDR-YUQKHPEDSA-N;   SMILES=[C@@]12(C[C@@H]([C@@H]([C@@]3(N1C(N[C@](C2)([C@@H](C4=CC(NC(N4)=O)=O)O)[H])=NC3)[H])C)OS(O)(=O)=O)[H];   epicylindrospermopsin
 xref: CAS:265652-18-4 "KNApSAcK";   KNApSAcK:C00027774;   PMID:10757726 "Europe PMC";   PMID:11535093 "Europe PMC";   PMID:11942831 "Europe PMC";   PMID:11982346 "Europe PMC";   PMID:15170307 "Europe PMC";   PMID:20525864 "Europe PMC";   PMID:21404419 "Europe PMC";   Wikipedia:Cylindrospermopsin
 cyclic_relationship: is_tautomer_of CHEBI:143707


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  CHEBI ontology 19596
    role 19539
      biological role 19537
        aetiopathogenetic role 18679
          genotoxin 16021
            7-epi-cylindrospermopsin 0
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  CHEBI ontology 19596
    subatomic particle 19592
      composite particle 19592
        hadron 19592
          baryon 19592
            nucleon 19592
              atomic nucleus 19592
                atom 19592
                  main group element atom 19471
                    p-block element atom 19471
                      chalcogen 19183
                        oxygen atom 19138
                          oxygen molecular entity 19138
                            hydroxides 18924
                              oxoacid 18006
                                chalcogen oxoacid 11367
                                  sulfur oxoacid 10954
                                    sulfuric acid 7898
                                      sulfuric acid derivative 7898
                                        sulfates 7895
                                          organic sulfate 1792
                                            7-epi-cylindrospermopsin 0
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