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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
3'-Hydroxy-2',3'-didehydro-2-nor-beta,beta-carotene-3,4,4'-trione
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Formula |
C39H46O4
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Molecular Weight |
578.758 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 |
15 including three ketones (15 in total)
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Number of
conjugated multiple bonds |
15 including three 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 |
10.277
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Hydrogen Bond donors
(Lipinski's definition) |
1
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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 |
43
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TPSA
(Topological Polar Surface Area) |
71.440 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.255: Francis, G. W.; Hertzberg, S.; Upadhyay, R. R.; Liaaen-Jensen, S., Francis, G. W.; Hertzberg, S.; Upadhyay, R. R.; Liaaen-Jensen, S., "Animal carotenoids. 6. Structures of roserythrin and the parent norcarotenoid".
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CAS |
38310-08-6
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Links to other DB |
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