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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(3S,5R,6R,3'R)-3,6-Epoxy-3'-ethanoyloxy-5-hydroxy-7',8'-didehydro-5,6-dihydro-12',13',20'-trinor-beta,beta-caroten-19,11-olide
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Formula |
C39H48O6
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Molecular Weight |
612.774 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,6R,3'R), 7',8'--H, 3,6-Epoxy, 3'-Ethanoyloxy, 5-OH, 5,6+H, 19,11-olide, 12'-nor, 13'-nor, 20'-nor, beta,beta
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Biological functions/Properties |
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Number of
conjugated double bonds |
8 including one lactone (8 in total)
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Number of
conjugated multiple bonds |
10 including one lactone (10 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 |
7.660
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Hydrogen Bond donors
(Lipinski's definition) |
1
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Hydrogen Bond Acceptors
(Lipinski's definition) |
6
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| LipinskiFailures |
1
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| Complexity of molecule |
0.333
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| Number of heavy atoms |
45
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TPSA
(Topological Polar Surface Area) |
82.060 Å2
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Reaction |
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Pathway |
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Major carotenoid information |
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Minor carotenoid information |
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Source organisms |
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References |
Ref.221: Maoka, Takashi; Fujiwara, Yasuhiro; Hashimoto, Keiji; Akimoto, Naoshige, Journal of Agricultural and Food Chemistry (2005), 53(21), 8357-8364. "Carotenoids in Three Species of Corbicula Clams, Corbicula japonica, Corbicula sandai, and Corbicula sp. (Chinese Freshwater Corbicula Clam)".
Ref.515: Takashi Maoka, Archives of Biochemistry and Biophysics 483 (2009) 191–195, "Recent progress in structural studies of carotenoids in animals and plants".
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CAS |
866025-62-9
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Links to other DB |
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