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Entry |
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Classification |
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Carotenoid Name
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Amarouciaxanthin B;
sidnyaxanthin
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IUPAC name |
(3R.6'S)-3,6'-Dihydroxy-7,8-didehydro-7',8'-dihydro-beta,epsilon-carotene-3',8'-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 |
Predict biological activities of this carotenoid
(3R,6'S), 7,8--H, 7',8'+H, 3-OH, 6'-OH, 3'=O, 8'=O, beta,epsilon
( Help )
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Biological functions/Properties |
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Number of
conjugated double bonds |
8 and 2 including two ketones (10 in total)
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Number of
conjugated multiple bonds |
10 and 2 including two ketones (12 in total)
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Isomers |
Constitutional isomer: CA00169, CA00344, CA00550, CA00502, CA00500, CA00501, CA00532, CA00503, CA00504, CA00499, CA00497, CA00498, CA00549, CA00662, CA00674, CA00740, CA00786
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
7.856
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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.443: Takao Matsuno, Masahiro Ookubo, Tadaaki Komori, J. Nat. Prod., 1985, 48 (4), pp 606–613, DOI: 10.1021/np50040a015"Carotenoids of Tunicates, III. The Structural Elucidation of Two New Marine Carotenoids, Amarouciaxanthin A and B".
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CAS |
92121-55-6
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Links to other DB |
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