(Q110159544)

English

Palytoxin carboxylic acid

group of stereoisomers with the chemical formula C₁₂₃H₂₁₃NO₅₃

In more languages

Statements

group of stereoisomers

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chemical compound

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2,552.400280676 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₂₃H₂₁₃NO₅₃

0 references

canonical SMILES

O=C(O)C(O)C(C)CC(O)C=C(C)C(O)C(O)CC1OC(C(O)C(O)C(O)C(O)C(O)CCCCCC(C)CC2OC3(OC2(C)CC(C)C3)CCCCCCCC(O)CC4OC(O)(CC(O)C(C=CC(O)CCC(O)C(O)C5OC(CC(O)C(O)CC6OC(CC(O)C=CC=CCC(O)C(O)C(O)CC=CC(=C)CCC(O)C(O)C(O)C(C)CC7OC(C=CC(O)C(O)CC8OC9CC(OC9CCC%10OC(CN)CC%10O)C8)C(O)C(O)C7O)C(O)C(O)C6O)C(O)C(O)C5)C)C(O)C(O)C4O)C(O)C(O)C1O

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isomeric SMILES

C=C(/C=C\CC(O)C(O)C(O)C/C=C/C=C\C(O)CC1OC(CC(O)C(O)CC2OC(C(O)C(O)CCC(O)/C=C/C(C)C(O)CC3(O)OC(CC(O)CCCCCCCC45CC(C)CC(C)(O4)C(CC(C)CCCCCC(O)C(O)C(O)C(O)C(O)C4OC(CC(O)C(O)/C(C)=C/C(O)CC(C)C(O)C(=O)O)C(O)C(O)C4O)O5)C(O)C(O)C3O)CC(O)C2O)C(O)C(O)C1O)CCC(O)C(O)C(O)C(C)CC1OC(/C=C\C(O)C(O)CC2CC3CC(O2)C(CCC2OC(CN)CC2O)O3)C(O)C(O)C1O

1 reference

based on heuristic

inferred from InChI

Chondria armata

4 references

Besarhanamides A and B from the marine cyanobacterium Lyngbya majuscula

Hapalindole-related alkaloids from the cultured cyanobacterium Fischerella ambigua

A truncated palytoxin analogue, palytoxin carboxylic acid, isolated as an insecticidal compound from the red alga, Chondria armata

First evidence of palytoxin and 42-hydroxy-palytoxin in the marine cyanobacterium Trichodesmium.

Identifiers

InChI=1S/C123H213NO53/c1-57(28-32-76(134)102(148)97(143)63(7)42-88-105(151)111(157)104(150)86(171-88)35-34-71(129)77(135)46-68-45-69-48-87(169-68)85(168-69)37-36-84-80(138)47-70(56-124)170-84)22-20-27-73(131)99(145)72(130)25-18-13-16-24-65(126)43-89-106(152)112(158)107(153)92(172-89)50-79(137)78(136)49-90-101(147)82(140)52-91(173-90)100(146)75(133)33-31-64(125)30-29-60(4)83(141)55-123(167)119(164)117(163)109(155)94(175-123)44-66(127)23-15-10-9-11-19-38-122-54-59(3)53-121(8,177-122)95(176-122)39-58(2)21-14-12-17-26-74(132)103(149)110(156)114(160)116(162)118-115(161)113(159)108(154)93(174-118)51-81(139)96(142)61(5)40-67(128)41-62(6)98(144)120(165)166/h13,16,18,20,22,24,29-30,34-35,40,58-60,62-119,125-164,167H,1,9-12,14-15,17,19,21,23,25-28,31-33,36-39,41-56,124H2,2-8H3,(H,165,166)/b18-13+,22-20-,24-16-,30-29+,35-34-,61-40+

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CORITNKDDOOMSL-BDZOGBLZSA-N

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2 references

15 September 2022

matched by identifier from

CORITNKDDOOMSL-BDZOGBLZSA-N

UniChem compound ID

1 reference

DSSTox substance ID

DTXSID101046890

1 reference

matched by identifier from

CORITNKDDOOMSL-BDZOGBLZSA-N

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