Chemical Compound

Palytoxin carboxylic acid

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Palytoxin carboxylic acid chemical structure
Primary Record

Palytoxin carboxylic acid

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
155802016
SMILES
CC1CC2(C(OC(C1)(O2)CCCCCCCC(CC3C(C(C(C(O3)(CC(C(C)/C=C/C(CCC(C(C4CC(C(C(O4)CC(C(CC5C(C(C(C(O5)CC(/C=C\C=C\CC(C(C(C/C=C\C(=C)CCC(C(C(C(C)CC6C(C(C(C(O6)/C=C\C(C(CC7CC8CC(O7)C(O8)CCC9C(CC(O9)CN)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)CC(C)CCCCCC(C(C(C(C(C1C(C(C(C(O1)CC(C(/C(=C/C(CC(C)C(C(=O)O)O)O)/C)O)O)O)O)O)O)O)O)O)O)C
Canonical 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

Names & Synonyms

  • Palytoxin carboxylic acid
  • RefChem:169804
  • SCHEMBL29370134
  • DTXSID101046890
  • (E)-10-(6-(12-(5-(9-(6-((E)-10-(6-(4-(6-((3Z,5E,12Z)-21-(6-((Z)-5-(7-(2-(5-(aminomethyl)-3-hydroxyoxolan-2-yl)ethyl)-2,6-dioxabicyclo(3.2.1)octan-3-yl)-3,4-dihydroxypent-1-enyl)-3,4,5-trihydroxyoxan-2-yl)-2,8,9,10,17,18,19-heptahydroxy-20-methyl-14-methylidenehenicosa-3,5,12-trienyl)-3,4,5-trihydroxyoxan-2-yl)-2,3-dihydroxybutyl)-4,5-dihydroxyoxan-2-yl)-2,6,9,10-tetrahydroxy-3-methyldec-4-enyl)-3,4,5,6-tetrahydroxyoxan-2-yl)-8-hydroxynonyl)-1,3-dimethyl-6,8-dioxabicyclo(3.2.1)octan-7-yl)-1,2,3,4,5-pentahydroxy-11-methyldodecyl)-3,4,5-trihydroxyoxan-2-yl)-2,5,8,9-tetrahydroxy-3,7-dimethyldec-6-enoic acid
  • (E)-10-(6-(12-(5-(9-(6-((E)-10-(6-(4-(6-((3Z,5E,12Z)-21-(6-((Z)-5-(7-(2-(5-(aminomethyl)-3-hydroxytetrahydrofuran-2-yl)ethyl)-2,6-dioxabicyclo(3.2.1)octan-3-yl)-3,4-dihydroxypent-1-en-1-yl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)-2,8,9,10,17,18,19-heptahydroxy-20-methyl-14-methylenehenicosa-3,5,12-trien-1-yl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)-2,3-dihydroxybutyl)-4,5-dihydroxytetrahydro-2H-pyran-2-yl)-2,6,9,10-tetrahydroxy-3-methyldec-4-en-1-yl)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-yl)-8-hydroxynonyl)-1,3-dimethyl-6,8-dioxabicyclo(3.2.1)octan-7-yl)-1,2,3,4,5-pentahydroxy-11-methyldodecyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)-2,5,8,9-tetrahydroxy-3,7-dimethyldec-6-enoic acid
  • (E)-10-(6-(12-(5-(9-(6-((E)-10-(6-(4-(6-((3Z,5E,12Z)-21-(6-((Z)-5-(7-(2-(5-(aminomethyl)-3-hydroxytetrahydrofuran-2-yl)ethyl)-2,6-dioxabicyclo[3.2.1]octan-3-yl)-3,4-dihydroxypent-1-en-1-yl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)-2,8,9,10,17,18,19-heptahydroxy-20-methyl-14-methylenehenicosa-3,5,12-trien-1-yl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)-2,3-dihydroxybutyl)-4,5-dihydroxytetrahydro-2H-pyran-2-yl)-2,6,9,10-tetrahydroxy-3-methyldec-4-en-1-yl)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-yl)-8-hydroxynonyl)-1,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-7-yl)-1,2,3,4,5-pentahydroxy-11-methyldodecyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)-2,5,8,9-tetrahydroxy-3,7-dimethyldec-6-enoic acid
  • (E)-10-[6-[12-[5-[9-[6-[(E)-10-[6-[4-[6-[(3Z,5E,12Z)-21-[6-[(Z)-5-[7-[2-[5-(aminomethyl)-3-hydroxyoxolan-2-yl]ethyl]-2,6-dioxabicyclo[3.2.1]octan-3-yl]-3,4-dihydroxypent-1-enyl]-3,4,5-trihydroxyoxan-2-yl]-2,8,9,10,17,18,19-heptahydroxy-20-methyl-14-methylidenehenicosa-3,5,12-trienyl]-3,4,5-trihydroxyoxan-2-yl]-2,3-dihydroxybutyl]-4,5-dihydroxyoxan-2-yl]-2,6,9,10-tetrahydroxy-3-methyldec-4-enyl]-3,4,5,6-tetrahydroxyoxan-2-yl]-8-hydroxynonyl]-1,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]-1,2,3,4,5-pentahydroxy-11-methyldodecyl]-3,4,5-trihydroxyoxan-2-yl]-2,5,8,9-tetrahydroxy-3,7-dimethyldec-6-enoic acid
  • (E,2S,3R,5R,8R,9S)-10-((2R,3R,4R,5S,6R)-6-((1S,2R,3S,4S,5R,11S)-12-((1R,3S,5S,7R)-5-((8S)-9-((2R,3R,4R,5R,6S)-6-((E,2S,3S,6S,9R,10R)-10-((2S,4R,5S,6R)-6-((2R,3R)-4-((2R,3S,4R,5R,6S)-6-((2S,3Z,5E,8R,9S,10R,12Z,17S,18R,19R,20R)-21-((2R,3R,4R,5S,6R)-6-((Z,3R,4R)-5-((1S,3R,5R,7R)-7-(2-((2R,3R,5S)-5-(aminomethyl)-3-hydroxyoxolan-2-yl)ethyl)-2,6-dioxabicyclo(3.2.1)octan-3-yl)-3,4-dihydroxypent-1-enyl)-3,4,5-trihydroxyoxan-2-yl)-2,8,9,10,17,18,19-heptahydroxy-20-methyl-14-methylidenehenicosa-3,5,12-trienyl)-3,4,5-trihydroxyoxan-2-yl)-2,3-dihydroxybutyl)-4,5-dihydroxyoxan-2-yl)-2,6,9,10-tetrahydroxy-3-methyldec-4-enyl)-3,4,5,6-tetrahydroxyoxan-2-yl)-8-hydroxynonyl)-1,3-dimethyl-6,8-dioxabicyclo(3.2.1)octan-7-yl)-1,2,3,4,5-pentahydroxy-11-methyldodecyl)-3,4,5-trihydroxyoxan-2-yl)-2,5,8,9-tetrahydroxy-3,7-dimethyldec-6-enoic acid
  • (E,2S,3R,5R,8R,9S)-10-((2R,3R,4R,5S,6R)-6-((1S,2R,3S,4S,5R,11S)-12-(5-((8S)-9-((2R,3R,4R,5R,6S)-6-((E,2S,3S,6S,9R,10R)-10-((2S,4R,5S,6R)-6-((2R,3R)-4-((2R,3S,4R,5R,6S)-6-((2S,3Z,5E,8R,9S,10R,12Z,17S,18R,19R,20R)-21-((2R,3R,4R,5S,6R)-6-((Z,3R,4R)-5-(7-(2-((2R,3R,5S)-5-(aminomethyl)-3-hydroxyoxolan-2-yl)ethyl)-2,6-dioxabicyclo(3.2.1)octan-3-yl)-3,4-dihydroxypent-1-enyl)-3,4,5-trihydroxyoxan-2-yl)-2,8,9,10,17,18,19-heptahydroxy-20-methyl-14-methylidenehenicosa-3,5,12-trienyl)-3,4,5-trihydroxyoxan-2-yl)-2,3-dihydroxybutyl)-4,5-dihydroxyoxan-2-yl)-2,6,9,10-tetrahydroxy-3-methyldec-4-enyl)-3,4,5,6-tetrahydroxyoxan-2-yl)-8-hydroxynonyl)-1,3-dimethyl-6,8-dioxabicyclo(3.2.1)octan-7-yl)-1,2,3,4,5-pentahydroxy-11-methyldodecyl)-3,4,5-trihydroxyoxan-2-yl)-2,5,8,9-tetrahydroxy-3,7-dimethyldec-6-enoic acid
  • (E,2S,3R,5R,8R,9S)-10-[(2R,3R,4R,5S,6R)-6-[(1S,2R,3S,4S,5R,11S)-12-[(1R,3S,5S,7R)-5-[(8S)-9-[(2R,3R,4R,5R,6S)-6-[(E,2S,3S,6S,9R,10R)-10-[(2S,4R,5S,6R)-6-[(2R,3R)-4-[(2R,3S,4R,5R,6S)-6-[(2S,3Z,5E,8R,9S,10R,12Z,17S,18R,19R,20R)-21-[(2R,3R,4R,5S,6R)-6-[(Z,3R,4R)-5-[(1S,3R,5R,7R)-7-[2-[(2R,3R,5S)-5-(aminomethyl)-3-hydroxyoxolan-2-yl]ethyl]-2,6-dioxabicyclo[3.2.1]octan-3-yl]-3,4-dihydroxypent-1-enyl]-3,4,5-trihydroxyoxan-2-yl]-2,8,9,10,17,18,19-heptahydroxy-20-methyl-14-methylidenehenicosa-3,5,12-trienyl]-3,4,5-trihydroxyoxan-2-yl]-2,3-dihydroxybutyl]-4,5-dihydroxyoxan-2-yl]-2,6,9,10-tetrahydroxy-3-methyldec-4-enyl]-3,4,5,6-tetrahydroxyoxan-2-yl]-8-hydroxynonyl]-1,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]-1,2,3,4,5-pentahydroxy-11-methyldodecyl]-3,4,5-trihydroxyoxan-2-yl]-2,5,8,9-tetrahydroxy-3,7-dimethyldec-6-enoic acid
  • (E,2S,3R,5R,8R,9S)-10-[(2R,3R,4R,5S,6R)-6-[(1S,2R,3S,4S,5R,11S)-12-[5-[(8S)-9-[(2R,3R,4R,5R,6S)-6-[(E,2S,3S,6S,9R,10R)-10-[(2S,4R,5S,6R)-6-[(2R,3R)-4-[(2R,3S,4R,5R,6S)-6-[(2S,3Z,5E,8R,9S,10R,12Z,17S,18R,19R,20R)-21-[(2R,3R,4R,5S,6R)-6-[(Z,3R,4R)-5-[7-[2-[(2R,3R,5S)-5-(aminomethyl)-3-hydroxyoxolan-2-yl]ethyl]-2,6-dioxabicyclo[3.2.1]octan-3-yl]-3,4-dihydroxypent-1-enyl]-3,4,5-trihydroxyoxan-2-yl]-2,8,9,10,17,18,19-heptahydroxy-20-methyl-14-methylidenehenicosa-3,5,12-trienyl]-3,4,5-trihydroxyoxan-2-yl]-2,3-dihydroxybutyl]-4,5-dihydroxyoxan-2-yl]-2,6,9,10-tetrahydroxy-3-methyldec-4-enyl]-3,4,5,6-tetrahydroxyoxan-2-yl]-8-hydroxynonyl]-1,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]-1,2,3,4,5-pentahydroxy-11-methyldodecyl]-3,4,5-trihydroxyoxan-2-yl]-2,5,8,9-tetrahydroxy-3,7-dimethyldec-6-enoic acid