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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
1-Methoxy-4-oxo-1,2-dihydro-12'-apo-psi-caroten-12'-al
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Formula |
C26H36O3
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Molecular Weight |
396.548 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 |
9 including one ketone and one aldehyde (9 in total)
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Number of
conjugated multiple bonds |
9 including one ketone and one aldehyde (9 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 |
5.690
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Hydrogen Bond donors
(Lipinski's definition) |
0
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Hydrogen Bond Acceptors
(Lipinski's definition) |
3
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| LipinskiFailures |
2
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| Complexity of molecule |
0.000
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| Number of heavy atoms |
29
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TPSA
(Topological Polar Surface Area) |
43.370 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 |
Thiocystis gelatinosa (Ref.245) - purple sulfur bacteria, same as Thiothece gelatinosa (Gammaproteobacteria - Chromatiaceae)
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References |
Ref.245: Andrewes, A. G.; Liaaen-Jensen, S., Acta Chemica Scandinavica (1947-1973) (1972), 26(6), 2194-204., "Bacterial carotenoids. XXXVII. Carotenoids of Thiorhodaceae. 9. Structural elucidation of five minor carotenoids from Thiothece gelatinosa".
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CAS |
38740-38-4
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Links to other DB |
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