Entry |
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Classification |
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Carotenoid Name
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19'-Hydroxyfucoxanthin (19'-butanoate)
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IUPAC name |
19'-Butanoyloxy-5,6-epoxy-3'-ethanoyloxy-3,5'-dihydroxy-6',7'-didehydro-5,6,7,8,5',6'-hexahydro-beta,beta-caroten-8-one
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Formula |
C47H66O8
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Molecular Weight |
758.998 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
6',7'--H, 5,6+H, 7,8+H, 5',6'+H, 3-OH, 5'-OH, 3'-Ethanoyloxy, 19'-Butanoyloxy, 8=O, 5,6-Epoxy, beta,beta
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Biological functions/Properties |
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Number of conjugated double bonds |
9 including one ketone (9 in total)
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Number of conjugated multiple bonds |
9 including one ketone (9 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 |
10.622
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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 |
0.256
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Number of heavy atoms |
55
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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 |
Phaeocystis sp. (Ref.31) - Alga: Haptophyte ((Haptophyceae) - Phaeocystaceae)
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References |
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 |
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Links to other DB |
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