Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(3S,4S,3'R)-7',8'-Didehydro-beta,beta-carotene-3,4,3'-triol
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Formula |
C40H54O3
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Molecular Weight |
582.832 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 |
9
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Number of conjugated multiple bonds |
11
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Isomers |
Constitutional isomer: CA00226, CA00271, CA00262, CA00263, CA00264, CA00978, CA00406, CA01085, CA01086, CA00980, CA00404, CA00405, CA00533, CA01052, CA00489, CA00605, CA00643, CA00641, CA00639, CA00660, CA00640, CA00642, CA00638, CA00659, CA01051, CA00703, CA00738 Conformer: CA00337
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
9.773
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Hydrogen Bond donors (Lipinski's definition) |
3
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Hydrogen Bond Acceptors (Lipinski's definition) |
3
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LipinskiFailures |
1
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Complexity of molecule |
0.309
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Number of heavy atoms |
43
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TPSA (Topological Polar Surface Area) |
60.690 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 |
93920-58-2
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Links to other DB |
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