Entry |
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Classification |
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Carotenoid Name
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19-Hexanoyloxyfucoxanthinol
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IUPAC name |
(3S,3'S,5R,5'R,6S,6'R)-6',7'-Didehydro-5,6-epoxy-5',6,6',7-tetrahydro-3,3',5'-trihydroxy-19'-[(1-oxohexyl)oxy]-beta,beta-carotene
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Formula |
C46H66O7
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Molecular Weight |
730.988 g/mol
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Structure |
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Mol file
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Carotenoid DB Fingerprints |
Predict biological activities of this carotenoid
(3S,3'S,5R,5'R,6S,6'R), 6',7'--H, 5',6'+H, 6,7+H, 3-OH, 3'-OH, 5'-OH, 8=O, 5,6+H, 5,6-Epoxy, beta,beta
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Biological functions/Properties |
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Number of conjugated double bonds |
9 including one ketone and one ester (9 in total)
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Number of conjugated multiple bonds |
9 including one ketone and one ester (9 in total)
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Isomers |
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
9.953
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Hydrogen Bond donors (Lipinski's definition) |
3
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Hydrogen Bond Acceptors (Lipinski's definition) |
7
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LipinskiFailures |
2
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Complexity of molecule |
0.261
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Number of heavy atoms |
53
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TPSA (Topological Polar Surface Area) |
116.590 Å2
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Reaction |
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Pathway |
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Major carotenoid information |
Major in many haptophytes and dinoflagellates (Ref.707).
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Minor carotenoid information |
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Source organisms |
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References |
Ref.29: T.Bjoernland, S. Liaaen-Jensen, and J. Throndsen, Phytochemistry, Vol. 28, No. 12, pp. 3347-3353, 1989; "Carotenoids of the marine chrysophyte Pelagococcus subviridis". Ref.707: Suzanne Roy et al., Phytoplankton Pigments Characterization, Chemotaxonomy and Applications in Oceanography, October 2011, Cambridge University Press, pp 665-674, "Part VII - Data sheets aiding identification of phytoplankton carotenoids and chlorophylls", available at http://www.cambridge.org/gb/files/2013/6697/5826/Data_sheets_part_3_Xanthophylls.pdf, ISBN: 9781107000667.
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CAS |
63929-20-4
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Links to other DB |
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