Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
2,2'-Dinor-beta,beta-carotene-3,4,3',4'-tetrone
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Formula |
C38H44O4
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Molecular Weight |
564.732 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 |
Blue/Colorless color (Ref.495).
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Number of conjugated double bonds |
15 including four ketones (15 in total)
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Number of conjugated multiple bonds |
15 including four ketones (15 in total)
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Isomers |
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
8.556
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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 |
1
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Complexity of molecule |
0.326
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Number of heavy atoms |
42
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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.254: Hertzberg, Sissel; Liaaen-Jensen, Synnoeve; Enzell, Curt R.; Francis, George W., Acta Chemica Scandinavica (1947-1973) (1969), 23(10), 3290-312., "Animal carotenoids. 3. Carotenoids of Actinia equina; structure determination of actinioerythrin and violerythrin". Ref.495: Synnove Liaaen-Jensen, and Geir Kildahl-Andersen, ARKIVOC 2008 (vi) 5-25, "Blue carotenoids".
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CAS |
22453-06-1
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Links to other DB |
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