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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(3R,3'R,6'R)-7,8-Didehydro-beta,epsilon-carotene-3,3'-diol
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Formula |
C40H54O2
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Molecular Weight |
566.832 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 |
8
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Number of
conjugated multiple bonds |
10
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Isomers |
Constitutional isomer: CA00184, CA00250, CA00252, CA00257, CA00203, CA00258, CA00259, CA00270, CA00260, CA00324, CA00325, CA00478, CA00473, CA00477, CA00474, CA00475, CA00476, CA00472, CA00541, CA00542, CA00633, CA00657, CA00635, CA00679, CA01097, CA00700, CA00696, CA00699, CA00694, CA00695, CA00736
Conformer: CA01234
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
11.249
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Hydrogen Bond donors
(Lipinski's definition) |
2
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Hydrogen Bond Acceptors
(Lipinski's definition) |
2
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| LipinskiFailures |
1
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| Complexity of molecule |
0.312
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| Number of heavy atoms |
42
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TPSA
(Topological Polar Surface Area) |
40.460 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 |
Minor pigment in cryptophytes (Ref.707).
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Source organisms |
Cryptomonas sp. (Ref.26) - Alga: Cryptomonad (Cryptophyta - Cryptomonadaceae)Chroomonas salina (Ref.26) - Alga: Cryptomonad (Cryptophyta - Chroomonadaceae)Rhodomonas D3 (Ref.26) - Alga: Cryptomonad (Cryptophyta - Pyrenomonadaceae)
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References |
Ref.26: F. C. Pennington, F. T. Haxo, G. Borch, and Liaaen-Jensen, Biochemical Systematics and Ecology, Vol. 13, No. 3, pp. 215-219, 1985 "Carotenoids of Cryptophyceae".
Ref.707: Suzanne Roy et al., Phytoplankton Pigments Characterization, Chemotaxonomy and Applications in Oceanography, October 2011, Cambridge University Press, pp 665-674, "Part VII - Data sheets aiding identification of phytoplankton carotenoids and chlorophylls", available at http://www.cambridge.org/gb/files/2013/6697/5826/Data_sheets_part_3_Xanthophylls.pdf, ISBN: 9781107000667.
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CAS |
27085-16-1
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Links to other DB |
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