MetaADEDB 2.0 @ LMMD
Ciguatoxins
(VYVRIXWNTVOIRD-LRHBOZQDSA-N)
Structure
SMILES
OC[C@H](/C=C/[C@H]1C=CC[C@H]2[C@H](O1)[C@@H](O)[C@H]1[C@H](O2)C[C@H]2[C@H](O1)C=C[C@H]1[C@H](O2)C=C[C@H]2[C@H](O1)C/C=C\C[C@H]1[C@H](O2)C[C@@H](O)[C@]2([C@H](O1)C[C@H]1[C@H](O2)C[C@H](C)C[C@H]2[C@H](O1)C[C@@H]1O[C@H]3[C@H]([C@H]([C@@H]([C@H]1O2)C)O)O[C@]1([C@H]([C@@H]3C)C)OC[C@H](C1)O)C)O
Molecular Formula:
C60H86O19
Molecular Weight:
1111.310
Log P:
2.9664
Hydrogen Bond Acceptor:
19
Hydrogen Bond Donor:
6
TPSA:
241.37
CAS Number(s):
11050-21-8
Synonym(s)
1.
Ciguatoxins
2.
Ciguatoxin
External Link(s)
MeSHD002922
PubChem Compound5311333
ChEBI36467
KEGGcpd:C16762
Therapeutic Target DatabaseD0I8OE
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Ciguatera Poisoning5642309
18353800
22275728
CTD
2Respiratory Insufficiency5642309CTD
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