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CHEBI:61270 - ciguatoxin HIJKLM cyclic acetal

ChEBI IDCHEBI:61270
ChEBI Nameciguatoxin HIJKLM cyclic acetal
Stars
DefinitionA polycyclic ether comprising a linear sequence of sequence of six trans-fused oxacycles and one spiro-fused tetrahydrofuran ring.
Last Modified8 February 2011
SubmitterSteve
DownloadsMolfile
FormulaC32H50O12
Net Charge0
Average Mass626.740
Monoisotopic Mass626.33023
SMILES[H][C@@]12C[C@H](C)C[C@]3([H])O[C@]4([H])[C@@H](C)[C@H](O)[C@]5([H])O[C@]6(C[C@H](O)CO6)[C@@H](C)[C@H](C)[C@@]5([H])O[C@@]4([H])C[C@@]3([H])O[C@@]1([H])C[C@@]1([H])OC(CC(=O)O)OC[C@]1(C)O2
InChIInChI=1S/C32H50O12/c1-14-6-19-20(39-21-9-24-31(5,43-22(21)7-14)13-37-26(42-24)10-25(34)35)8-23-28(40-19)16(3)27(36)30-29(41-23)15(2)17(4)32(44-30)11-18(33)12-38-32/h14-24,26-30,33,36H,6-13H2,1-5H3,(H,34,35)/t14-,15+,16+,17+,18+,19+,20-,21+,22-,23+,24-,26?,27+,28-,29-,30+,31+,32-/m1/s1
InChIKeyJRRGAIHPWWMUAF-OZCQQQCSSA-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 HIJKLM cyclic acetal (CHEBI:61270) has role hapten (CHEBI:59174)
ciguatoxin HIJKLM cyclic acetal (CHEBI:61270) is a cyclic acetal (CHEBI:59770)
ciguatoxin HIJKLM cyclic acetal (CHEBI:61270) is a polycyclic ether (CHEBI:36468)
IUPAC Name 
[(4'S,4aS,5aR,7R,8aS,9aR,10S,11S,11aS,13R,14S,15S,15aR,16aS,17aR,18aS,19aR)-4',11-dihydroxy-4a,7,10,14,15-pentamethyldocosahydro-3'H-spiro[1,3-dioxino[4',5':5,6]pyrano[3,2-b]pyrano[2'',3'':6',7']oxepino[2',3':5,6]pyrano[2,3-g]oxocine-13,2'-furan]-2-yl]acetic acid
Citations