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Entry |
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Classification |
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Carotenoid Name
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(6R,6'S)-3,3'-Diketo-ε-carotene;
(6R,6'S)-3,3'-Diketo-epsilon-carotene
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IUPAC name |
(6R,6'S)-epsilon,epsilon-Carotene-3,3'-dione
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Formula |
C40H52O2
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Molecular Weight |
564.816 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, 2, and 2 including two ketones (13 in total)
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Number of
conjugated multiple bonds |
9, 2, and 2 including two ketones (13 in total)
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Isomers |
Constitutional isomer: CA00183, CA00281, CA00279, CA00280, CA00283, CA00323, CA00468, CA00471, CA00469, CA00470, CA00467, CA00656
Conformer: CA00697, CA00693
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
11.456
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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 |
0.319
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| Number of heavy atoms |
42
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TPSA
(Topological Polar Surface Area) |
34.140 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.366: Tsushima, Miyuki; Maoka, Takashi; Matsuno, Takao, Comparative Biochemistry and Physiology, Part B: Biochemistry & Molecular Biology (1989), 93B(3), 665-71., "Comparative biochemical studies of carotenoids in marine invertebrates - the first positive identification of ε,ε-carotene derivatives and isolation of two new carotenoids from chitons".
Ref.367: Ikuno, Yoshihiro; Matsuno, Takao, Nippon Suisan Gakkaishi (1987), 53(10), 1893-6., "Carotenoids and their metabolism in big-eye tuna Thunnus obesus".
Ref.445: Ikuno, Yoshihiro; Shimizu, Minoru; Koshino, Yasuyo; Maoka, Takashi; Matsuno, Takao, Nippon Suisan Gakkaishi (1985), 51(12), 2033-5., "Comparative biochemical studies of carotenoids in fishes - XXVII. Stereochemical investigation of carotenoids from yellow-tail rockfish Sebastes flavidus".
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CAS |
82915-88-6
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Links to other DB |
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