Entry |
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Classification |
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Carotenoid Name
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2-Keto-2'-hydroxy-β-carotene; 2-Keto-2'-hydroxy-beta-carotene
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IUPAC name |
2'-Hydroxy-beta,beta-caroten-2-one
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Formula |
C40H54O2
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Molecular Weight |
566.832 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 |
11
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Number of conjugated multiple bonds |
11
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Isomers |
Constitutional isomer: CA00184, CA00250, CA00252, CA00257, CA00203, CA00258, CA00259, CA00270, CA00260, CA00324, CA00325, CA00478, CA00473, CA00477, CA00474, CA00475, CA00476, CA00596, CA01234, CA00633, CA00657, CA00635, CA00679, CA01097, CA00700, CA00696, CA00699, CA00694, CA00695, CA00736
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
9.930
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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 |
0.312
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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 |
Extatosoma tiaratum (Ref.308, Ref.22) - 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". Ref.22: H. Kayser, K. Aareskjold, G. Borch, S. Liaaen-Jensen, Inct Biochem. Insect Biochemistry, Volume 14, Issue 1, 1984, Pages 51–54, "Partly racemized 2-hydroxy-beta-type carotenoids from the insects Cerura vinula and Ectatosoma tiaratum".
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CAS |
63596-37-2
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Links to other DB |
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