Entry |
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Classification |
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Carotenoid Name
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(all-E)-4-Oxoretinoic acid; 4-Ketoretinoic acid; 4-Oxo-atRA; 4-Oxotretinoin
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IUPAC name |
4-oxo-15-apo-beta-caroten-15-oic acid
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Formula |
C20H26O3
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Molecular Weight |
314.408 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 |
7 including one carboxylic acid (7 in total)
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Number of conjugated multiple bonds |
7 including one carboxylic acid (7 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 |
4.281
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Hydrogen Bond donors (Lipinski's definition) |
1
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Hydrogen Bond Acceptors (Lipinski's definition) |
3
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LipinskiFailures |
0
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Complexity of molecule |
0.122
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Number of heavy atoms |
23
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TPSA (Topological Polar Surface Area) |
54.370 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 |
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References |
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CAS |
38030-57-8
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Links to other DB |
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