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Entry |
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Classification |
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Carotenoid Name
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(4S,4'S)-4,4'-Dihydroxyalloxanthin
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IUPAC name |
(3S,4S,3'S,4'S)-7,8,7',8'-Tetradehydro-beta,beta-carotene-3,4,3',4'-tetrol
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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 |
Predict biological activities of this carotenoid
(3S,4S,3'S,4'S), 7,8--H, 7',8'--H, 3-OH, 4-OH, 3'-OH, 4'-OH, beta,beta
( Help )
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Biological functions/Properties |
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Number of
conjugated double bonds |
7
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Number of
conjugated multiple bonds |
11
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Isomers |
Constitutional isomer: CA00169, CA00550, CA00502, CA00500, CA00501, CA00532, CA00503, CA00504, CA00499, CA00497, CA00498, CA00549, CA00662, CA00646, CA00674, CA00740, CA00786
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
8.982
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Hydrogen Bond donors
(Lipinski's definition) |
4
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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) |
80.920 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.448: Maoka, Takashi; Tsushima, Miyuki; Matsuno, Takao, Comparative Biochemistry and Physiology, Part B: Biochemistry & Molecular Biology (1989), 93B(4), 829-34., "New acetylenic carotenoids from the starfishes Asterina pectinifera and Asterias amurensis".
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CAS |
124508-53-8
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Links to other DB |
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