EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:61255 - ciguatoxin HIJKLM ring fragment

ChEBI IDCHEBI:61255
ChEBI Nameciguatoxin HIJKLM ring fragment
Stars
DefinitionA polycyclic ether comprising a linear sequence of sequence of five trans-fused oxacycles and one spiro-fused tetrahydrofuran ring.
Last Modified7 February 2011
SubmitterSteve
DownloadsMolfile
FormulaC29H48O10
Net Charge0
Average Mass556.693
Monoisotopic Mass556.32475
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@@H](O)[C@](C)(CO)O2
InChIInChI=1S/C29H48O10/c1-13-6-18-19(35-20-9-23(32)28(5,12-30)38-21(20)7-13)8-22-25(36-18)15(3)24(33)27-26(37-22)14(2)16(4)29(39-27)10-17(31)11-34-29/h13-27,30-33H,6-12H2,1-5H3/t13-,14+,15+,16+,17+,18+,19-,20+,21-,22+,23-,24+,25-,26-,27+,28+,29-/m1/s1
InChIKeySKGLZUAKKRKQLC-JGHKTXDHSA-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 ring fragment (CHEBI:61255) has role hapten (CHEBI:59174)
ciguatoxin HIJKLM ring fragment (CHEBI:61255) is a polycyclic ether (CHEBI:36468)
IUPAC Name 
(2R,2'R,3'S,4S,4a'R,6'R,7a'S,8a'R,9'S,10'S,10a'S,13'S,14'S,14a'R,15a'S,16a'R,17a'S)-3'-(hydroxymethyl)-3',6',9',13',14'-pentamethylicosahydro-1'H,3H-spiro[furan-2,12'-pyrano[3,2-b]pyrano[2'',3'':6',7']oxepino[2',3':5,6]pyrano[2,3-g]oxocine]-2',4,10'-triol
Citations