Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(3S,3'S)-3,3',4'-Trihydroxy-beta,beta-caroten-4-one
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Formula |
C40H54O4
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Molecular Weight |
598.832 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 |
12 including one ketone (12 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: CA00185, CA00266, CA00296, CA00295, CA00345, CA00534, CA00508, CA00506, CA00565, CA00554, CA00509, CA00671, CA00742, CA00741
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
9.373
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Hydrogen Bond donors (Lipinski's definition) |
3
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Hydrogen Bond Acceptors (Lipinski's definition) |
4
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LipinskiFailures |
1
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Complexity of molecule |
0.306
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Number of heavy atoms |
44
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TPSA (Topological Polar Surface Area) |
77.760 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.253: Tanaka, Yoshito; Inoue, Tsuyoshi, Nippon Suisan Gakkaishi (1987), 53(7), 1271-3., "new aldehydic carotenoid gelliodesxanthin from sea sponge Gelliodes callista". Ref.440: B. Bjerkeng, B. Hatlen, M. Jobling, Comparative Biochemistry and Physiology Part B: Biochemistry and Molecular Biology Volume 125, Issue 3, March 2000, Pages 395–404 "Astaxanthin and its metabolites idoxanthin and crustaxanthin in flesh, skin, and gonads of sexually immature and maturing Arctic charr (Salvelinus alpinus (L.))". 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 |
25510-19-4
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Links to other DB |
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