CHEBI:70750 - ciguatoxin ABC ring fragment

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ChEBI Name ciguatoxin ABC ring fragment
ChEBI ID CHEBI:70750
Definition A polycyclic ether comprising a linear sequence of three trans-fused oxacycles (one oxepine and two pyrans) which corresponds to the ABC ring fragment of ciguatoxin CTX1B.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C16H24O6
Net Charge 0
Average Mass 312.35820
Monoisotopic Mass 312.15729
InChI InChI=1S/C16H24O6/c17-9-10(18)6-7-11-3-1-4-13-16(21-11)14(19)15-12(22-13)5-2-8-20-15/h1,3,6-7,10-19H,2,4-5,8-9H2/b7-6+/t10-,11+,12+,13-,14-,15+,16-/m0/s1
InChIKey UQBKARYLDQRSJF-MHXRFSLHSA-N
SMILES [H][C@@]12CCCO[C@@]1([H])[C@H](O)[C@@]1([H])O[C@]([H])(C=CC[C@]1([H])O2)\C=C\[C@H](O)CO
Roles Classification
Biological Role(s): epitope
The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing ciguatoxin ABC ring fragment (CHEBI:70750) has role epitope (CHEBI:53000)
ciguatoxin ABC ring fragment (CHEBI:70750) is a organic heterotricyclic compound (CHEBI:26979)
ciguatoxin ABC ring fragment (CHEBI:70750) is a polycyclic ether (CHEBI:36468)
IUPAC Name
(2S,3E)-4-[(4aR,5aS,9R,10aR,11S,11aS)-11-hydroxy-2,3,4,4a,5a,6,9,10a,11,11a-decahydropyrano[2',3':5,6]pyrano[3,2-b]oxepin-9-yl]but-3-ene-1,2-diol
Citation Waiting for Citations Type Source
22575284 PubMed citation Europe PMC
Last Modified
24 October 2012