Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
epsilon,epsilon-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 |
Bright yellow color (Ref.520).
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Number of conjugated double bonds |
9
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Number of conjugated multiple bonds |
9
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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, CA00328, CA00329, CA00330, CA00331, CA00399, CA00435, CA00402, CA00401, CA00400, CA00430, CA00434, CA00403, CA00480, CA00582, CA01237, CA00597, CA00598, CA00615, CA00599, CA00600, CA00616, CA00614, CA00623, CA00676, CA01228, CA00737
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
12.002
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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 |
Major carotenoid in fish (Ref.743).
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Minor carotenoid information |
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Source organisms |
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References |
Ref.440: B. Bjerkeng, B. Hatlen, M. Jobling, Comparative Biochemistry and Physiology Part B: Biochemistry and Molecular Biology Volume 125, Issue 3, March 2000, Pages 395–404 "Astaxanthin and its metabolites idoxanthin and crustaxanthin in flesh, skin, and gonads of sexually immature and maturing Arctic charr (Salvelinus alpinus (L.))". Ref.211: Frederick Khachik Paul S. Bernstein, and Donita L. Garland, Investigative Ophthalmology & Visual Science, August 1997, Vol. 38, No. 9, "Identification of lutein and zeaxanthin oxidation products in human and monkey retinas.". Ref.520: Takashi Maoka, Mar. Drugs 2011, 9, 278-293; doi:10.3390/md9020278, "Carotenoids in Marine Animals". Ref.743: Delia B. Rodriguez-Amaya, ILSI PRESS, "A GUIDE TO CAROTENOID ANALYSIS IN FOODS", ISBN 1-57881-072-8.
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CAS |
12738-95-3
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Links to other DB |
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