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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(3S,5R,6S)-3,6-Epoxy-3',4',7',8'-tetradehydro-5,6-dihydro-beta,beta-caroten-4-one
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Formula |
C40H50O2
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Molecular Weight |
562.8 g/mol
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Structure |
Search similar carotenoids
Mol file
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Carotenoid DB Fingerprints |
Predict biological activities of this carotenoid
(3S,5R,6S), 3',4'--H, 7',8'--H, 5,6+H, 4=O, 3,6-Epoxy, beta,beta
( Help )
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Biological functions/Properties |
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Number of
conjugated double bonds |
8
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Number of
conjugated multiple bonds |
11
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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 |
11.434
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Hydrogen Bond donors
(Lipinski's definition) |
0
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Hydrogen Bond Acceptors
(Lipinski's definition) |
2
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| LipinskiFailures |
1
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| Complexity of molecule |
0.337
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| Number of heavy atoms |
42
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TPSA
(Topological Polar Surface Area) |
26.300 Å2
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Reaction |
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Pathway |
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Major carotenoid information |
Only as major carotenoid in Eutreptiella gymnastica (Ref.707).
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Minor carotenoid information |
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Source organisms |
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References |
Ref.45: A. Fiksdahl, T. Bjoernland, and S. Liaaen-Jensen, Phytochemistry, Vol. 23, No.3, pp. 649-655, 1984, "Algal carotenoids with novel end groups".
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 |
91298-08-7
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Links to other DB |
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