Entry |
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Classification |
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Carotenoid Name
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β-Carotenone; beta-Carotenone
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IUPAC name |
5,6,5',6'-Diseco-beta,beta-carotene-5,6,5',6'-tetrone
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Formula |
C40H56O4
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Molecular Weight |
600.848 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 |
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Number of conjugated double bonds |
11 including two ketones (11 in total)
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Number of conjugated multiple bonds |
11 including two ketones (11 in total)
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Isomers |
Constitutional isomer: CA00137, CA01092, CA01100, CA01101, CA00350, CA00347, CA00979, CA01093, CA01094, CA00348, CA00349, CA00346, CA00965, CA00415, CA00439, CA00440, CA00419, CA00441, CA00442, CA00443, CA00444, CA00445, CA00414, CA00421, CA00420, CA00417, CA00418, CA00416, CA00555, CA00626, CA00631, CA00647, CA00648, CA00701, CA00746, CA00745, CA00744, CA00747, CA00743, CA00785
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
8.496
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Hydrogen Bond donors (Lipinski's definition) |
0
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Hydrogen Bond Acceptors (Lipinski's definition) |
4
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LipinskiFailures |
2
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Complexity of molecule |
0.000
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Number of heavy atoms |
44
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TPSA (Topological Polar Surface Area) |
68.280 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.223: Cardini, Franco; Bonzi, Laura Morassi, Journal of Plant Physiology Volume162 Issue5 Pages517-528 Journal 2005 CODEN:JPPHEY ISSN:0176-1617 DOI:10.1016/j.jplph.2004.06.007, "Carotenoid composition and its chemotaxonomic significance in leaves of ten species of the genus Ceratozamia (Cycads)". Ref.774: Antonio Selva et al., “Ceratozamiaxanthin: A Novel Keto-Carotenoid from Young Leaves of Two Cycads”. Ref.221: Maoka, Takashi; Fujiwara, Yasuhiro; Hashimoto, Keiji; Akimoto, Naoshige, Journal of Agricultural and Food Chemistry (2005), 53(21), 8357-8364. "Carotenoids in Three Species of Corbicula Clams, Corbicula japonica, Corbicula sandai, and Corbicula sp. (Chinese Freshwater Corbicula Clam)".
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CAS |
20126-74-3
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Links to other DB |
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