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ONTOLOGY REPORT - ANNOTATIONS


Term:ciguatoxin CTX1B
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Accession:CHEBI:36467 term browser browse the term
Definition:A ciguatoxin comprising a sequence of twelve trans-fused six-, seven-, eight- and nine-membered rings and a spiro-fused five-membered ring. A commonly encountered fish toxin.
Synonyms:exact_synonym: (2R,2'R,3a'S,4S,4a'R,5'S,6'S,6a'S,9'S,10'S,10a'R,11a'S,12a'R,13a'S,14a'R,15a'S,17'Z,19a'R,20a'S,22a'R,23a'S,24'R,24a'R,26'R,29a'S,30a'R,31a'S,32a'R,34a'S,35a'R,37'R,37a'S,38a'R)-26'-[(1E,3S)-3,4-dihydroxybut-1-en-1-yl]-2',5',9',10',37a'-pentamethyl-1',3',3a',4,4a',5,5',6',6a',9',10',10a',11a',12',12a',13a',14',14a',15a',16',19',19a',20a',22a',23a',24',24a',26',29',29a',30a',31',31a',32a',34a',35a',36',37',37a',38a'-tetracontahydro-2'H,3H-spiro[furan-2,8'-oxepino[2'''',3'''':5''',6''']pyrano[2''',3''':5'',6'']pyrano[2'',3'':6',7']oxepino[2',3':6,7]oxepino[3,2-b]pyrano[2''''',3''''':6'''',7'''']oxepino[2'''',3'''':5''',6''']pyrano[2''',3''':7'',8'']oxocino[2'',3'':5',6']pyrano[2',3':6,7]oxepino[2,3-h]oxonine]-4,6',24',37'-tetrol
 related_synonym: CTX;   CTX 1;   Ciguatoxin 1;   Ciguatoxin CTX 1;   Formula=C60H86O19;   InChI=1S/C60H86O19/c1-28-19-42-44(22-48-54(76-42)30(3)52(65)58-55(77-48)29(2)31(4)60(79-58)25-33(63)27-67-60)73-46-24-51-59(5,78-47(46)20-28)50(64)23-45-36(74-51)11-7-6-10-35-37(71-45)15-16-39-38(69-35)17-18-40-43(70-39)21-49-57(75-40)53(66)56-41(72-49)12-8-9-34(68-56)14-13-32(62)26-61/h6-9,13-18,28-58,61-66H,10-12,19-27H2,1-5H3/b7-6-,14-13+/t28-,29+,30+,31+,32+,33+,34-,35-,36+,37+,38+,39-,40-,41+,42+,43+,44-,45-,46+,47-,48+,49-,50-,51-,52+,53-,54-,55-,56+,57-,58+,59+,60-/m1/s1;   InChIKey=VYVRIXWNTVOIRD-LRHBOZQDSA-N;   Pacific ciguatoxin 1;   SMILES=[H][C@]12C\\C=C/C[C@@]3([H])O[C@@]4([H])C=C[C@@]5([H])O[C@@]6([H])[C@H](O)[C@@]7([H])O[C@]([H])(C=CC[C@]7([H])O[C@]6([H])C[C@]5([H])O[C@]4([H])C=C[C@]3([H])O[C@]1([H])C[C@@H](O)[C@]1(C)O[C@]3([H])C[C@H](C)C[C@]4([H])O[C@]5([H])[C@@H](C)[C@H](O)[C@]6([H])O[C@]7(C[C@H](O)CO7)[C@@H](C)[C@H](C)[C@@]6([H])O[C@@]5([H])C[C@@]4([H])O[C@@]3([H])C[C@@]1([H])O2)\\C=C\\[C@H](O)CO
 xref: Beilstein:3646734 "Beilstein";   Beilstein:5374716 "Beilstein";   CAS:11050-21-8 "ChemIDplus";   CAS:11050-21-8 "KEGG COMPOUND";   KEGG:C16762
 xref_mesh: MESH:D002922
 xref: PMID:12429578 "Europe PMC";   PMID:18280027 "Europe PMC";   PMID:18348309 "Europe PMC";   PMID:19294712 "Europe PMC";   PMID:22575284 "Europe PMC";   PMID:9113373 "Europe PMC";   Reaxys:19671490 "Reaxys";   Reaxys:8471628 "Reaxys"


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            ciguatoxin CTX1B 0
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  CHEBI ontology 0
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                  main group element atom 0
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                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
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                                  ether 0
                                    cyclic ether 0
                                      polycyclic ether 0
                                        ciguatoxin 0
                                          ciguatoxin CTX1B 0
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