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Entry |
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Classification |
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Carotenoid Name
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7,8-Didehydro-beta-cryptoxanthin;
Allobetaxanthin
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IUPAC name |
7,8-Didehydro-beta,beta-caroten-3-ol
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Formula |
C40H54O
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Molecular Weight |
550.832 g/mol
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Structure |
Search similar carotenoids
Mol file
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Carotenoid DB Fingerprints |
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Biological functions/Properties |
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Number of
conjugated double bonds |
9
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Number of
conjugated multiple bonds |
9
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Isomers |
Constitutional isomer: CA00121, CA00159, CA00154, CA00222, CA00223, CA00197, CA00256, CA00711, CA00370, CA00369, CA00462, CA00461, CA00590, CA00589, CA00634, CA00654, CA00655, CA00678
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
12.615
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Hydrogen Bond donors
(Lipinski's definition) |
1
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Hydrogen Bond Acceptors
(Lipinski's definition) |
1
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| LipinskiFailures |
1
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| Complexity of molecule |
0.316
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| Number of heavy atoms |
41
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TPSA
(Topological Polar Surface Area) |
20.230 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.372: Litchfield, Carter; Liaaen-Jensen, Synnoeve, Comparative Biochemistry and Physiology, Part B: Biochemistry & Molecular Biology (1980), 66B(3), 359-65., "Animal carotenoids. Part 23. Carotenoids of the marine sponge, Microciona prolifera".
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CAS |
214461-32-2, 76207-91-5
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Links to other DB |
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