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CHEBI:61273 - ciguatoxin IJKLM cyclic acetal

ChEBI IDCHEBI:61273
ChEBI Nameciguatoxin IJKLM cyclic acetal
Stars
DefinitionA polycyclic ether comprising a linear sequence of sequence of five trans-fused oxacycles and one spiro-fused tetrahydrofuran ring.
Last Modified8 February 2011
SubmitterSteve
DownloadsMolfile
FormulaC28H44O11
Net Charge0
Average Mass556.649
Monoisotopic Mass556.28836
SMILES[H][C@@]12C[C@H](C)C[C@]3([H])O[C@]4([H])[C@@H](C)[C@H](O)[C@]5(O)O[C@]6(CCCO6)[C@@H](C)[C@H](C)[C@@]5([H])O[C@@]4([H])C[C@@]3([H])O[C@@]1([H])COC(CC(=O)O)O2
InChIInChI=1S/C28H44O11/c1-13-8-17-19(35-21-12-33-23(11-22(29)30)36-18(21)9-13)10-20-24(37-17)15(3)25(31)28(32)26(38-20)14(2)16(4)27(39-28)6-5-7-34-27/h13-21,23-26,31-32H,5-12H2,1-4H3,(H,29,30)/t13-,14+,15-,16+,17+,18-,19-,20+,21+,23?,24-,25+,26-,27-,28+/m1/s1
InChIKeyBCRACEMMSIEVIP-HDJBMSHGSA-N
Roles Classification
Biological Role:
hapten  Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
ChEBI Ontology
Outgoing Relation(s)
ciguatoxin IJKLM cyclic acetal (CHEBI:61273) has role hapten (CHEBI:59174)
ciguatoxin IJKLM cyclic acetal (CHEBI:61273) is a cyclic acetal (CHEBI:59770)
ciguatoxin IJKLM cyclic acetal (CHEBI:61273) is a polycyclic ether (CHEBI:36468)
IUPAC Name 
[(4aR,6R,7aS,8aR,9S,10S,10aS,12R,13S,14S,14aR,15aS,16aR,17aS)-10,10a-dihydroxy-6,9,13,14-tetramethyloctadecahydro-1H,3'H-spiro[1,3-dioxino[5,4-b]pyrano[2'',3'':6',7']oxepino[2',3':5,6]pyrano[2,3-g]oxocine-12,2'-furan]-3-yl]acetic acid
Citations