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Entry |
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Classification |
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Carotenoid Name
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3,4-Diketo-α-carotene;
3,4-Diketo-alpha-carotene
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IUPAC name |
3-Hydroxy-2,3-didehydro-beta,epsilon-caroten-4-one
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Formula |
C40H52O2
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Molecular Weight |
564.816 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 |
12 including one ketone (12 in total)
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Number of
conjugated multiple bonds |
12 including one ketone (12 in total)
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Isomers |
Constitutional isomer: CA00183, CA00281, CA00279, CA00280, CA00283, CA00323, CA00468, CA00471, CA00469, CA00470, CA00467, CA00697, CA00698, CA00693, CA01098
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
13.819
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Hydrogen Bond donors
(Lipinski's definition) |
1
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Hydrogen Bond Acceptors
(Lipinski's definition) |
2
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| LipinskiFailures |
1
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| Complexity of molecule |
0.319
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| Number of heavy atoms |
42
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TPSA
(Topological Polar Surface Area) |
37.300 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 |
6399-46-8
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Links to other DB |
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