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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(3S,5R,6S,3'S,5'R,6'R)-5,6-Epoxy-3'-ethanoyloxy-7,8,6',7'-tetradehydro-5,6,5',6'-tetrahydro-beta,beta-carotene-3,19,5'-triol
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Formula |
C42H56O6
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Molecular Weight |
656.868 g/mol
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Structure |
Search similar carotenoids
Mol file
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Carotenoid DB Fingerprints |
Predict biological activities of this carotenoid
(3S,5R,6S,3'S,5'R,6'R), 7,8--H, 6',7'--H, 5,6+H, 5',6'+H, 3-OH, 19-OH, 5'-OH, 3'-Ethanoyloxy, 5,6-Epoxy, beta,beta
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Biological functions/Properties |
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Number of
conjugated double bonds |
8
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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 |
9.447
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Hydrogen Bond donors
(Lipinski's definition) |
3
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Hydrogen Bond Acceptors
(Lipinski's definition) |
6
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| LipinskiFailures |
1
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| Complexity of molecule |
0.298
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| Number of heavy atoms |
48
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TPSA
(Topological Polar Surface Area) |
99.520 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 |
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CAS |
201364-25-2
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Links to other DB |
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