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ONTOLOGY REPORT - ANNOTATIONS


Term:brevetoxin A
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Accession:CHEBI:61250 term browser browse the term
Definition:A ciguatoxin comprising a linear sequence of ten trans-fused five-, six-, eight- and nine-membered rings.
Synonyms:exact_synonym: 2-{[(3aR,4aS,5aR,6aS,8Z,10aR,11aS,14aR,15aS,16aR,18R,20S,20aS,21aR,22aS,23aR,24Z,26aS,27aR,28S,29aS,30aR,32R,33aS)-20-hydroxy-22a,28,30a,32-tetramethyl-2-oxo-3,3a,4a,5,5a,6a,7,10,10a,11a,12,13,14,14a,15a,16,16a,18,19,20,20a,21a,22,22a,23a,26,26a,27a,28,29,29a,30a,31,32,33,33a-hexatriacontahydro-2H-furo[2''',3''':7'',8'']oxocino[2'',3'':5',6']pyrano[2',3':6,7]oxepino[3,2-b]pyrano[2'''',3'''':5''',6''']pyrano[2''',3''':5'',6'']pyrano[2'',3'':7',8']oxocino[2',3':7,8]oxocino[2,3-h]oxonin-18-yl]methyl}acrylaldehyde
 related_synonym: Brevetoxin PbTx 1;   Formula=C49H70O13;   InChI=1S/C49H70O13/c1-26-17-36-39(22-45(52)58-36)57-44-21-38-40(62-48(44,4)23-26)18-28(3)46-35(55-38)11-7-6-10-31-32(59-46)12-8-14-34-33(54-31)13-9-15-43-49(5,61-34)24-42-37(56-43)20-41-47(60-42)30(51)19-29(53-41)16-27(2)25-50/h6-8,14,25-26,28-44,46-47,51H,2,9-13,15-24H2,1,3-5H3/b7-6-,14-8-/t26-,28+,29-,30+,31-,32+,33+,34-,35+,36+,37+,38-,39-,40+,41-,42-,43-,44+,46-,47+,48-,49+/m1/s1;   InChIKey=MGVIMUPHKPHTKF-HQUFVKSZSA-N;   Ptychodiscus brevis toxin 1;   SMILES=[H][C@@]12C\\C=C/C[C@]3([H])O[C@]4([H])C[C@]5([H])O[C@]6([H])CC(=O)O[C@@]6([H])C[C@@H](C)C[C@@]5(C)O[C@@]4([H])C[C@H](C)[C@@]3([H])O[C@@]1([H])C\\C=C/[C@@]1([H])O[C@@]3(C)C[C@@]4([H])O[C@@]5([H])[C@@H](O)C[C@@H](CC(=C)C=O)O[C@]5([H])C[C@]4([H])O[C@]3([H])CCC[C@]1([H])O2
 xref: CAS:98112-41-5 "ChemIDplus";   CAS:98112-41-5 "KEGG COMPOUND";   KEGG:C16839;   PMID:10604878 "Europe PMC";   PMID:10658333 "Europe PMC";   PMID:19099481 "Europe PMC";   PMID:19523973 "Europe PMC";   Reaxys:6266874 "Reaxys"


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Term Annotations click to browse term
  CHEBI ontology 19764
    role 19711
      biological role 19710
        poison 17960
          toxin 13838
            ciguatoxin 923
              brevetoxin A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19764
    subatomic particle 19762
      composite particle 19762
        hadron 19762
          baryon 19762
            nucleon 19762
              atomic nucleus 19762
                atom 19762
                  main group element atom 19646
                    p-block element atom 19646
                      carbon group element atom 19540
                        carbon atom 19529
                          organic molecular entity 19529
                            heteroorganic entity 19106
                              organochalcogen compound 18802
                                organooxygen compound 18713
                                  ether 15852
                                    cyclic ether 6507
                                      polycyclic ether 1306
                                        ciguatoxin 923
                                          brevetoxin A 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.