Entry |
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Classification |
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Carotenoid Name
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7,8,7',8'-Tetradehydroastaxanthin; Asterinasaure
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IUPAC name |
(3S,3'S)-3,3'-Dihydroxy-7,8,7',8'-tetradehydro-beta,beta-carotene-4,4'-dione
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Formula |
C40H48O4
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Molecular Weight |
592.784 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), 7,8--H, 7',8'--H, 3-OH, 3'-OH, 4=O, 4'=O, beta,beta
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Biological functions/Properties |
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Number of conjugated double bonds |
7, 2, and 2 (11 in total)
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Number of conjugated multiple bonds |
13 including two ketones (13 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 |
9.628
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Hydrogen Bond donors (Lipinski's definition) |
2
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Hydrogen Bond Acceptors (Lipinski's definition) |
4
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LipinskiFailures |
1
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Complexity of molecule |
0.326
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Number of heavy atoms |
44
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TPSA (Topological Polar Surface Area) |
74.600 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.275: G. W. Francis, R. R. Upadhyay and S. Liaaen-Jensen, Acta Chemica Scandinavica 24 (1970), pp. 3050-3052, "Animal Carotenoids - The Carotenoids of Asterias rubens Asterinaure". Ref.365: Masahiro Ohkubo, Miyuki Tsushima, Takashi Maoka, Takao Matsuno, Comparative Biochemistry and Physiology Part B: Biochemistry and Molecular Biology, Volume 124, Issue 3, November 1999, Pages 333–340, "Carotenoids and their metabolism in the goldfish Carassius auratus (Hibuna)". Ref.635: Takashi Maoka, Takashi Kuwahara, and Masanao Narita, Mar. Drugs 2014, 12, 1460-1470, "Carotenoids of Sea Angels Clione limacina and Paedoclione doliiformis from the Perspective of the Food Chain", doi:10.3390/md12031460.
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CAS |
60536-53-0
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Links to other DB |
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