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Common molecules sample 50925 - Reciprocal Net Log in
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Empirical formula: C47H76O18
a: 31.551 Å
b: 6.219 Å
c: 25.350 Å
α (alpha): 90.00 °
β (beta): 97.78 °
γ (gamma): 90.00 °
Volume: 4928.28 Å3
Space group: C2
Calculated density: 1.252 g/cm3
Z: 4
Temperature: 22.0 °C
Formula weight: 929.110 g/mole
R(F): 0.1130
Structural formula: C47H70O15, 3(H2O1)
CSD refcode: DIKHEK
Empirical formula - less solvent: C47H70O15
Common name: Pectenotoxin
Common name: Pectenotoxin-1 trihydrate
Keyword: toxin
Keyword: shellfish
Short description: Pectenotoxins are cyclic polyether
Layman's explanation: Pectenotoxins are produced by a species of phytoplankton and accumulate in tissues of shellfish that feed by filtering the algae from water. Consumption of these contaminated shellfish has been associated with severe diarrhetic illness resulting in hospitalization. It also causes nausea, vomiting, and abdominal pain. These toxins are potently cytotoxic to human cancer cell lines. Little is known of their toxicology. Evaluation of the chemical structure of PTXs suggests that they are subject to metabolism via the cytochrome P450 enzyme system.
Citation of a publication: T.Yasumoto, M.Murata, Y.Oshima, M.Sano, G.K.Matsumoto, J.Clardy; Tetrahedron, 41, (1985), 1019
Lab name: Common molecules
Sample provider: Obtained courtesy of the Cambridge Structural Database
Status: Complete, visible to public
Repository Files:
50925.cif 50925.crt 50925.GIF 50925.pdb 50925.sdt

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