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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(3R,3'R)-3,3'-Dihydroxy-beta,beta-carotene-4,4'-dione
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Formula |
C40H52O4
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Molecular Weight |
596.816 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 |
13 including two ketones (13 in total)
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Number of
conjugated multiple bonds |
13 including two ketones (13 in total)
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Isomers |
Constitutional isomer: CA00169, CA00344, CA00532, CA00503, CA00504, CA00499, CA00497, CA00498, CA00549, CA00662, CA00646, CA00674, CA00740, CA00786
Enantiomer: CA00502
Conformer: CA00551, CA00552, CA00553, CA00501
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
9.696
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Hydrogen Bond donors
(Lipinski's definition) |
2
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Hydrogen Bond Acceptors
(Lipinski's definition) |
4
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| LipinskiFailures |
1
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| Complexity of molecule |
0.312
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| Number of heavy atoms |
44
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TPSA
(Topological Polar Surface Area) |
74.600 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 |
Ref.204: Tani C, Maoka T, Tani M, Moritomo Y, Okada T, Kitahara G, Katamoto H., J Oleo Sci. 2014;63(9):943-51. Epub 2014 Aug 5., "Accumulation of xanthophylls from the phaffia yeast (Xanthophyllomyces dendrorhrous) in calves.".
Ref.206: Takashi Maoka, Tetsuji Etoh, Ayako Osawa, and Kazutoshi Shindo, Journal of Oleo Science 61, (7), pp.401-406 (2012), "Characterization and Singlet Oxygen Quenching Activity of (3R)-3-Hydroxy-4-Ketotorulene and (3R)-3-Hydroxy-4-Keto-gamma-Carotene from the Yeast Xanthophyllomyces dendrhorous".
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CAS |
60760-95-4
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Links to other DB |
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