Entry |
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Classification |
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Carotenoid Name
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19'-Hexanoyloxyfucoxanthin
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IUPAC name |
(3S,5R,6S,3'S,5'R,6'S)-5,6-Epoxy-3'-ethanoyloxy-19'-hexanoyloxy-3,5'-dihydroxy-6',7'-didehydro-5,6,7,8,5',6'-hexahydro-beta,beta-caroten-8-one
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Formula |
C48H68O8
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Molecular Weight |
773.024 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,5R,6S,3'S,5'R,6'S), 6',7'--H, 5,6+H, 7,8+H, 5',6'+H, 3-OH, 5'-OH, 3'-Ethanoyloxy, 8=O, 5,6-Epoxy, beta,beta, 19'-Hexanoyloxy
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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 |
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
10.693
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Hydrogen Bond donors (Lipinski's definition) |
2
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Hydrogen Bond Acceptors (Lipinski's definition) |
8
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LipinskiFailures |
2
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Complexity of molecule |
0.250
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Number of heavy atoms |
56
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TPSA (Topological Polar Surface Area) |
122.660 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.32: N. Arpin, W. A. Svec, and S. Liaaen-Jensen, Phytochemistry, 1976, Vol. 15, pp. 529-532 "New Fucoxanthin related carotenoids from Coccolithus Huxleyi". Ref.31: R. Berger, and S. Liaaen-Jensen, Biochemical Systematics and Ecology, 1977, Vol. 5, pp.71-75 "Carotenoids of Prymnesiophyceae (Haptophyceae)* ".
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CAS |
60147-85-5
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Links to other DB |
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