- Recommended name
- Caribbean Ciguatoxin-5
- Synonyms
- n/a
- Recommended acronym
- C-CTX5
- Abbreviation
- Structure
-
- Formula
- C62H90O19
- Exact mono-isotopic mass
- 1138.6076
- Molfile
- n/a
- Alternative molfiles
- n/a
- SMILES
- O=C1C[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@@]3(O)CO)(C)[C@](O3)([H])CC4)(C)[C@]4([H])O5)([H])[C@]5(C)[C@@H](O)C6)([H])[C@]6([H])O7)([H])[C@]7([H])C[C@@H](C)C8)([H])[C@]8([H])O9)([H])[C@]9(C)[C@H](O)C%10)([H])[C@]%10([H])O%11)([H])[C@]%11([H])/C=C\C%12)([H])[C@]%12([H])O%13)([H])[C@]%13([H])C%14)([H])[C@]%14([H])O2)([H])OCC1
- Alternative SMILES
- n/a
- InChi key
- FXLDETAZHDUMMU-OYAXWEKPSA-N
- Alternative InChi keys
- n/a
- InChi
- InChI=1S/C62H90O19/c1-32-21-41-45(26-47-49(73-41)28-53(66)61(5)57(77-47)30-59(3)55(79-61)16-15-54-58(2,81-59)18-19-62(67,31-63)80-54)75-50-29-56-60(4,78-51(50)22-32)52(65)27-48-37(76-56)10-7-6-9-34-35(71-48)11-8-12-36-38(69-34)13-14-39-43(70-36)25-46-44(72-39)24-40-42(74-46)23-33(64)17-20-68-40/h6-8,11,13-14,32,34-57,63,65-67H,9-10,12,15-31H2,1-5H3/b7-6-,11-8-/t32-,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-CTX5.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
- True
- Standardized
- False
- Validated
- False
- Official
- n/a
Animal assays
- Research
- False
- Standardized
- False
- Validated
- False
- Official
- n/a
- Regulatory status
- True
- Human toxic syndrome(s)
- Ciguatera Poisoning
- Organ system toxicity
- Neurotoxicity, Gastro-intestinal toxicity
- Risk assessment
- Unknown
- Molecular targets known
- True
- Molecular targets
- Voltage dependent sodium channel (site 5)
- Toxic to aquatic animals
- False
- TEF available
- False
- Notes
- NaV-dependent bioactivity was assessed using a N2a–MTT assay compared with C-CTX1 and using CTX3C as a control. Due to lack of quantified C-CTX reference materials, the two C-CTXs were compared semi-quantitatively and confirm C-CTX5 has CTX-like activity. Mudge et al. 2023 https://doi.org/10.1016/j.chemosphere.2023.138659
- Beth Mudge
- Contact