Palytoxin

Palytoxin

Last updated at: Oct. 8, 2025

Recommended name
Palytoxin
Synonyms
n/a
Recommended acronym
PLTX
Abbreviation
Structure
Formula
C129H223N3O54
Exact mono-isotopic mass
2678.4796
Molfile
n/a
Alternative molfiles
n/a
SMILES
O[C@H]1[C@@H](CC[C@@H]2[C@H]3O[C@H](C[C@@H](O)[C@H](O)/C=C\[C@@H]4[C@@H](O)[C@H](O)[C@@H](O)[C@@H](C[C@@H](C)[C@@H](O)[C@H](O)[C@H](CCC(/C=C\C[C@@H](O)[C@@H](O)[C@H](O)C/C=C/C=C\[C@@H](O)C[C@H](O[C@H](C[C@H]([C@H](O)C[C@H]5OC([C@H](O)[C@@H](CC[C@H](O)/C=C/[C@H](C)[C@@H](O)C[C@]6(O)OC(C[C@H](CCCCCCC[C@@]7(O8)O[C@H](C[C@@H](C)CCCCC[C@@H](O)[C@H](O)[C@H](O)[C@H]([C@@H](C9O[C@H](C[C@@H]([C@H](O)/C(C)=C/[C@@H](C[C@@H](C)[C@H](O)C(N/C=C/C(NCCCO)=O)=O)O)O)[C@H](O)[C@@H](O)[C@@H]9O)O)O)[C@@]8(C)C[C@H](C)C7)O)[C@H](O)[C@@H](O)[C@H]6O)O)C[C@@H](O)[C@@H]5O)O)[C@@H](O)[C@@H]%10O)[C@@H]%10O)=C)O)O4)C[C@H](C3)O2)O[C@H](CN)C1
Alternative SMILES
n/a
InChi key
CWODDUGJZSCNGB-BWDFEQBBSA-N
Alternative InChi keys
n/a
InChi
InChI=1S/C129H223N3O54/c1-62(29-33-81(143)108(158)103(153)68(7)47-93-111(161)117(167)110(160)91(180-93)36-35-76(138)82(144)51-73-50-74-53-92(178-73)90(177-74)38-37-89-85(147)52-75(61-130)179-89)23-20-28-78(140)105(155)77(139)26-18-13-16-25-70(135)48-94-112(162)118(168)113(163)97(181-94)55-84(146)83(145)54-95-107(157)87(149)57-96(182-95)106(156)80(142)34-32-69(134)31-30-65(4)88(150)60-129(176)125(174)123(173)115(165)99(184-129)49-71(136)24-15-10-9-11-19-40-128-59-64(3)58-127(8,186-128)100(185-128)44-63(2)22-14-12-17-27-79(141)109(159)116(166)120(170)122(172)124-121(171)119(169)114(164)98(183-124)56-86(148)102(152)66(5)45-72(137)46-67(6)104(154)126(175)132-42-39-101(151)131-41-21-43-133/h13,16,18,20,23,25,30-31,35-36,39,42,45,63-65,67-100,102-125,133-150,152-174,176H,1,9-12,14-15,17,19,21-22,24,26-29,32-34,37-38,40-41,43-44,46-61,130H2,2-8H3,(H,131,151)(H,132,175)/b18-13+,23-20-,25-16-,31-30+,36-35-,42-39+,66-45+/t63-,64-,65-,67+,68+,69+,70+,71-,72-,73-,74+,75-,76+,77+,78+,79+,80+,81-,82+,83+,84+,85+,86-,87+,88-,89+,90+,91+,92-,93+,94-,95+,96?,97+,98+,99?,100+,102+,103+,104-,105-,106+,107-,108+,109-,110+,111-,112-,113+,114-,115-,116-,117-,118+,119+,120+,121-,122-,123+,124?,125+,127+,128-,129-/m0/s1
Alternative InChis
Spectra available
True
Chem files

References

Usami, M., Satake, M., Ishida, S., Inoue, A., Kan, Y., Yasumoto, T., 1995
Certified
False
Certified links
Non certified reference material
True

Chemical analysis

Research
True
Standardized
False
Validated
False
Official
n/a

Structure recognition assays

Research
Unknown
Standardized
Unknown
Validated
Unknown
Official
n/a

Functional assays

Research
Unknown
Standardized
Unknown
Validated
Unknown
Official
n/a

Animal assays

Research
Unknown
Standardized
Unknown
Validated
Unknown
Official
n/a
Regulatory status
Unknown
Human toxic syndrome(s)
n/a
Organ system toxicity
n/a
Risk assessment
Unknown
Molecular targets known
Unknown
Molecular targets
n/a
Toxic to aquatic animals
Unknown
TEF available
Unknown
Notes
Beth Mudge
Contact
Lucia Solino Alonso
Contact
Wade Huang
Contact