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Entry |
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Classification |
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Carotenoid Name
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β-Apo-2'-carotenal;
beta-Apo-2'-carotenal
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IUPAC name |
3',4'-Didehydro-2'-apo-beta,psi-caroten-2'-al
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Formula |
C37H48O
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Molecular Weight |
508.754 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 |
13 including one aldehyde (13 in total)
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Number of
conjugated multiple bonds |
13 including one aldehyde (13 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 |
12.369
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Hydrogen Bond donors
(Lipinski's definition) |
0
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Hydrogen Bond Acceptors
(Lipinski's definition) |
1
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| LipinskiFailures |
2
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| Complexity of molecule |
0.070
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| Number of heavy atoms |
38
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TPSA
(Topological Polar Surface Area) |
17.070 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 |
5525-46-2
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Links to other DB |
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