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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(3R,3'S)-beta,beta-Carotene-3,3'-diol
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Formula |
C40H56O2
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Molecular Weight |
568.848 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: CA01213, CA00140, CA00078, CA00079, CA00164, CA00207, CA00208, CA00204, CA00218, CA00233, CA00234, CA00206, CA00205, CA00249, CA00248, CA00261, CA00373, CA00374, CA00327, CA00326, CA00375, CA00331, CA00399, CA00435, CA00402, CA00401, CA00400, CA00430, CA00434, CA00403, CA00480, CA00582, CA01237, CA00597, CA00598, CA00615, CA00599, CA00600, CA00616, CA00614, CA00623, CA00676, CA00692, CA00691, CA00689, CA00686, CA00687, CA00685, CA00682, CA00690, CA00683, CA00684, CA00688, CA01228, CA00737
Conformer: CA00328, CA00330
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
10.564
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Hydrogen Bond donors
(Lipinski's definition) |
2
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Hydrogen Bond Acceptors
(Lipinski's definition) |
2
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| LipinskiFailures |
1
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| Complexity of molecule |
0.306
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| Number of heavy atoms |
42
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TPSA
(Topological Polar Surface Area) |
40.460 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 |
Homo sapiens (Ref.196) - Mammal: Human (Chordata - Hominidae)
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References |
Ref.196: Bhosale P, Zhao da Y, Serban B, Bernstein PS., Invest Ophthalmol Vis Sci. 2007 Apr;48(4):1435-40., "Identification of 3-methoxyzeaxanthin as a novel age-related carotenoid metabolite in the human macula.".
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CAS |
31272-50-1
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Links to other DB |
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