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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
Sodium (2R,2'R,3S,3'R)-2,2',3'-Trihydroxy-4-oxo-beta,beta-caroten-3-yl sulphate
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Formula |
C40H54O8S.Na
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Molecular Weight |
717.892 g/mol
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Structure |
Search similar carotenoids
Mol file
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Carotenoid DB Fingerprints |
Predict biological activities of this carotenoid
(2R,2'R,3S,3'R), 2-OH, 2'-OH, 3'-OH, 4=O, 3-SO4-Na, beta,beta
( Help )
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Biological functions/Properties |
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Number of
conjugated double bonds |
12 including one ketone (12 in total)
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Number of
conjugated multiple bonds |
12 including one ketone (12 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 |
6.147
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Hydrogen Bond donors
(Lipinski's definition) |
3
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Hydrogen Bond Acceptors
(Lipinski's definition) |
8
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| LipinskiFailures |
2
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| Complexity of molecule |
0.294
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| Number of heavy atoms |
49
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TPSA
(Topological Polar Surface Area) |
152.570 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 |
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CAS |
189347-82-8
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Links to other DB |
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