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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(3R)-beta,psi-Caroten-3-ol
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Formula |
C40H56O
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Molecular Weight |
552.848 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 |
Food coloring (Ref.468).
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Number of
conjugated double bonds |
11
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Number of
conjugated multiple bonds |
11
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Isomers |
Constitutional isomer: CA01212, CA00070, CA00122, CA00071, CA00983, CA00149, CA00150, CA00217, CA00231, CA00232, CA00199, CA00247, CA00302, CA00304, CA00371, CA00321, CA00322, CA00372, CA00396, CA00398, CA00397, CA00593, CA00595, CA00591, CA00613, CA00594, CA00592, CA00628, CA00629, CA00760
Cis/trans isomer: CA00948
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
12.575
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Hydrogen Bond donors
(Lipinski's definition) |
1
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Hydrogen Bond Acceptors
(Lipinski's definition) |
1
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| LipinskiFailures |
2
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| Complexity of molecule |
0.062
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| Number of heavy atoms |
41
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TPSA
(Topological Polar Surface Area) |
20.230 Å2
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Reaction |
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Pathway |
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Major carotenoid information |
Main pigment of rose hips and also occurs in an appreciable level in E. uniflora (fruits) (Ref.743).
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Minor carotenoid information |
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Source organisms |
Erythrobacter longus (Ref.364) - Alphaproteobacteria: marine anoxygenic phototroph with BChl a (Alphaproteobacteria - Erythrobacteraceae)Carica papaya (Ref.126) - Land plant: papaya (Streptophyta - Caricaceae)Helvella esculenta (Ref.115) - Fungi: mushroom (Ascomycota - Helvellaceae)Helvella monoachella (Ref.115) - Fungi: mushroom (Ascomycota - Helvellaceae)
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References |
Ref.115: Czeczuga, B., Phyton (Horn, Austria) (1979), 19(3-4), 225-32., "Investigations on carotenoids in fungi. VI. Representatives of the Helvellaceae and Morchellaceae".
Ref.126: Barreto, Gisela P. M.; Fabi, Joao P.; De Rosso, Veridiana V.; Cordenunsi, Beatriz R.; Lajolo, Franco M.; do Nascimento, Joao R. O.; Mercadante, Adriana Z., Journal of Food Composition and Analysis (2011), 24(4-5), 620-624., "Influence of ethylene on carotenoid biosynthesis during papaya postharvesting ripening".
Ref.364: S. Takaichi, K. Shimada, and J. Ishidsu, Arch Microbiol.(1990) 153:118-122, "Carotenoids from the aerobic photosynthetic bacterium, Erythrobacter longus: β-Carotene and its hydroxyl derivatives".
Ref.468: Gerard P. Moss, Herbert Baxter, J.B. Harborne, Gerald P. Moss, CRC Press; 1 edition (February 15, 1993), ISBN-10: 0850667364, ISBN-13: 978-0850667363, "Phytochemical Dictionary: A Handbook of Bioactive Compounds from Plants".
Ref.743: Delia B. Rodriguez-Amaya, ILSI PRESS, "A GUIDE TO CAROTENOID ANALYSIS IN FOODS", ISBN 1-57881-072-8.
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CAS |
3763-55-1
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Links to other DB |
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