Caribbean Ciguatoxin-3

Ciguatoxin

Last updated at: Oct. 6, 2023

Recommended name
Caribbean Ciguatoxin-3
Synonyms
n/a
Recommended acronym
C-CTX3
Abbreviation
Structure
Formula
C62H94O19
Exact mono-isotopic mass
1142.6389
Molfile
n/a
Alternative molfiles
n/a
SMILES
O[C@@H]1C[C@@]2([H])[C@](C[C@@](O[C@@](C=C[C@@](O[C@@](C/C=C\C[C@@](O[C@@](C[C@@](O[C@@](C[C@@](O[C@@](C[C@@](O[C@@](CC[C@@H](O)CO)(C)[C@](O)([H])CC3)(C)[C@]3([H])O4)([H])[C@]4(C)[C@@H](O)C5)([H])[C@]5([H])O6)([H])[C@]6([H])C[C@@H](C)C7)([H])[C@]7([H])O8)([H])[C@]8(C)[C@H](O)C9)([H])[C@]9([H])O%10)([H])[C@]%10([H])/C=C\C%11)([H])[C@]%11([H])O%12)([H])[C@]%12([H])C%13)([H])[C@]%13([H])O2)([H])OCC1
Alternative SMILES
n/a
InChi key
JIAYBHFWDNTJFD-UUAAWTOFSA-N
Alternative InChi keys
n/a
InChi
InChI=1S/C62H94O19/c1-32-21-42-46(26-48-50(74-42)28-55(68)62(5)58(78-48)30-60(3)56(80-62)16-15-53(66)59(2,81-60)19-17-34(65)31-63)76-51-29-57-61(4,79-52(51)22-32)54(67)27-49-38(77-57)10-7-6-9-35-36(72-49)11-8-12-37-39(70-35)13-14-40-44(71-37)25-47-45(73-40)24-41-43(75-47)23-33(64)18-20-69-41/h6-8,11,13-14,32-58,63-68H,9-10,12,15-31H2,1-5H3/b7-6-,11-8-/t32-,33+,34-,35-,36+,37-,38+,39+,40-,41-,42+,43+,44+,45+,46-,47-,48+,49-,50-,51+,52-,53+,54-,55+,56-,57-,58-,59-,60+,61+,62+/m1/s1
Alternative InChis
Spectra available
False
Chem files
chemfiles/C-CTX3.mol
Certified
False
Certified links
    n/a
Non certified reference material
False

Chemical analysis

Research
True
Standardized
False
Validated
False
Official
n/a

Structure recognition assays

Research
False
Standardized
False
Validated
False
Official
n/a

Functional assays

Research
Unknown
Standardized
False
Validated
False
Official
n/a

Animal assays

Research
False
Standardized
False
Validated
False
Official
n/a
Regulatory status
Unknown
Human toxic syndrome(s)
Ciguatera Poisoning
Organ system toxicity
n/a
Risk assessment
Unknown
Molecular targets known
True
Molecular targets
Voltage dependent sodium channel (site 5)
Toxic to aquatic animals
False
TEF available
False
Notes
C-CTX3 has been characterized by LC-HRMS/MS and a series of chemical reactions to verify the structure. Prior to 2020, this C-CTX has been described as C-CTX1143. Due to low levels in fish tissues, NMR spectra and toxicity equivalence to C-CTX1 have not been established.
Beth Mudge
Contact