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03. Biological Effects of Specific Chemicals
03. Biological Effects of Specific Chemicals
ciguatoxin CTX1B [CHEBI:36467] (1)
06. Name of Biological Source of Chemical
06. Name of Biological Source of Chemical
Gambierdiscus toxicus (4)
07. Part of Biological Source of Chemical
07. Part of Biological Source of Chemical
unspecified structure [PO:0000004] (703)
08. Chemical Category
08. Chemical Category
ciguatoxin CTX1B [CHEBI:36467] (1)
ciguatoxin CTX1B [CHEBI:36467] (1)
ciguatoxin CTX1B [CHEBI:36467] (1)
ciguatoxin CTX1B [CHEBI:36467] (1)
ciguatoxin CTX1B [CHEBI:36467] (1)
ciguatoxin CTX1B [CHEBI:36467] (1)
ciguatoxin CTX1B [CHEBI:36467] (1)
ciguatoxin CTX1B [CHEBI:36467] (1)
ciguatoxin CTX1B [CHEBI:36467] (1)
ciguatoxin CTX1B [CHEBI:36467] (1)
ciguatoxin CTX1B [CHEBI:36467] (1)
ciguatoxin CTX1B [CHEBI:36467] (1)
ciguatoxin CTX1B [CHEBI:36467] (1)
ciguatoxin CTX1B [CHEBI:36467] (1)
ciguatoxin CTX1B [CHEBI:36467] (1)
ciguatoxin CTX1B [CHEBI:36467] (1)
ciguatoxin CTX1B [CHEBI:36467] (1)
ciguatoxin CTX1B [CHEBI:36467] (1)
ChEBI Compound Accession Identifier :
[CHEBI:36467]
ChEBI Compound Description :
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.
ChEBI Compound Identification Number :
36467
ChEBI InChI Value :
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
ChEBI InChIKey Value :
VYVRIXWNTVOIRD-LRHBOZQDSA-N
ChEBI Compound Name :
ciguatoxin CTX1B
ChEBI SMILES Value :
[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
ChEBI Substance ID :
14718069
ChEBI URL :
ChEBI:36467
ChemSpider ID :
4470834
Ontomatica Chemical Accession Key (OnChAKey) :
VYVRIXWNTVOIRD_LRHBOZQDSA_N_000_000000
PubChem Compound ID :
5311333