42S-hydroxy-50S-palytoxin

Palytoxin

Last updated at: Oct. 8, 2025

Recommended name
42S-hydroxy-50S-palytoxin
Synonyms
n/a
Recommended acronym
42S-OH-50S-PLTX
Abbreviation
Structure
Formula
C129H223N3O55
Exact mono-isotopic mass
2694.4745
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@@H](O)[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
AFGYWOQMAMWZKR-BINOBZRDSA-N
Alternative InChi keys
n/a
InChi
InChI=1S/C129H223N3O55/c1-61(29-33-80(143)106(158)101(153)67(7)47-92-110(162)115(167)109(161)90(181-92)36-35-74(137)81(144)50-71-49-72-52-91(179-71)89(178-72)38-37-88-84(147)51-73(60-130)180-88)23-20-28-76(139)103(155)75(138)25-18-13-15-24-69(135)48-93-111(163)116(168)112(164)96(182-93)54-83(146)82(145)53-94-105(157)86(149)56-95(183-94)104(156)79(142)34-32-68(134)31-30-64(4)87(150)59-129(177)125(175)122(174)121(173)124(186-129)108(160)78(141)27-16-10-9-11-19-40-128-58-63(3)57-127(8,187-128)98(185-128)44-62(2)22-14-12-17-26-77(140)107(159)114(166)118(170)120(172)123-119(171)117(169)113(165)97(184-123)55-85(148)100(152)65(5)45-70(136)46-66(6)102(154)126(176)132-42-39-99(151)131-41-21-43-133/h13,15,18,20,23-24,30-31,35-36,39,42,45,62-64,66-98,100-125,133-150,152-175,177H,1,9-12,14,16-17,19,21-22,25-29,32-34,37-38,40-41,43-44,46-60,130H2,2-8H3,(H,131,151)(H,132,176)/b18-13+,23-20-,24-15-,31-30+,36-35-,42-39+,65-45+/t62-,63-,64-,66+,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+,100+,101+,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
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
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