Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(3S,3'R)-3,3'-Dihydroxy-7',8'-didehydro-beta,beta-caroten-4-one
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Formula |
C40H52O3
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Molecular Weight |
580.816 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 |
10 including one ketone (10 in total)
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Number of conjugated multiple bonds |
12 including one ketone (12 in total)
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Isomers |
Constitutional isomer: CA01222, CA00335, CA00336, CA00545, CA00486, CA00487, CA00488, CA00546, CA00485, CA00544, CA00547, CA00637, CA00658, CA01208, CA00783
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
10.096
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Hydrogen Bond donors (Lipinski's definition) |
2
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Hydrogen Bond Acceptors (Lipinski's definition) |
3
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LipinskiFailures |
1
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Complexity of molecule |
0.316
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Number of heavy atoms |
43
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TPSA (Topological Polar Surface Area) |
57.530 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.635: Takashi Maoka, Takashi Kuwahara, and Masanao Narita, Mar. Drugs 2014, 12, 1460-1470, "Carotenoids of Sea Angels Clione limacina and Paedoclione doliiformis from the Perspective of the Food Chain", doi:10.3390/md12031460.
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CAS |
16913-24-9
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Links to other DB |
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