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Entry |
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Classification |
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Carotenoid Name
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2-Keto-α-carotene;
2-Keto-alpha-carotene
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IUPAC name |
beta,epsilon-Caroten-2-one
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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 |
10
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Number of
conjugated multiple bonds |
10
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Isomers |
Constitutional isomer: CA00121, CA00159, CA00154, CA00222, CA00223, CA00197, CA00256, CA00711, CA00370, CA00369, CA00966, CA00462, CA00461, CA00590, CA00589, CA00654, CA00655, CA00678
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
12.890
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Hydrogen Bond donors
(Lipinski's definition) |
0
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Hydrogen Bond Acceptors
(Lipinski's definition) |
1
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| LipinskiFailures |
1
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| Complexity of molecule |
0.316
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| Number of heavy atoms |
41
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TPSA
(Topological Polar Surface Area) |
17.070 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 |
Extatosoma tiaratum (Ref.308) - Insect: giant prickly stick insect (Arthropoda (Insecta) - Phasmatidae)
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References |
Ref.308: Kayser, Hartmut, Zeitschrift fuer Naturforschung, C: Journal of Biosciences (1981), 36C(9-10), 755-64., "Carotenoids in the stick insect, Ectatosoma tiaratum. Isolation of β,ε-carotene-2-ol and β,ε-carotene-2-one".
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CAS |
80134-57-2
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Links to other DB |
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