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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
8'-Oxo-8,8'-diapocaroten-8-oic acid
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Formula |
C20H24O3
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Molecular Weight |
312.392 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 |
9 including one aldehyde and one carboxylic acid (9 in total)
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Number of
conjugated multiple bonds |
9 including two carboxylic acids (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 |
4.553
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Hydrogen Bond donors
(Lipinski's definition) |
1
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Hydrogen Bond Acceptors
(Lipinski's definition) |
3
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| LipinskiFailures |
0
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| Complexity of molecule |
0.000
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| Number of heavy atoms |
23
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TPSA
(Topological Polar Surface Area) |
54.370 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 |
22677-24-3
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Links to other DB |
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