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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
3',4'-Didehydro-beta,psi-caroten-16'-ol
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Formula |
C40H54O
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Molecular Weight |
550.832 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 |
13
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Number of
conjugated multiple bonds |
13
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Isomers |
Constitutional isomer: CA00121, CA00159, CA00154, CA00223, CA00197, CA00256, CA00711, CA00370, CA00369, CA00966, CA00462, CA00461, CA00590, CA00589, CA00634, CA00654, CA00655, CA00678
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
12.737
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Hydrogen Bond donors
(Lipinski's definition) |
1
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Hydrogen Bond Acceptors
(Lipinski's definition) |
1
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| LipinskiFailures |
2
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| Complexity of molecule |
0.063
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| Number of heavy atoms |
41
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TPSA
(Topological Polar Surface Area) |
20.230 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 |
63538-06-7
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Links to other DB |
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