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Entry |
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Classification |
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Carotenoid Name
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β-Apo-4'-carotenal;
4'-Apo-beta,psi-caroten-4'-al;
beta-Apo-4'-carotenal
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IUPAC name |
4'-Apo-beta,psi-caroten-4'-al
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Formula |
C35H46O
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Molecular Weight |
482.718 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 |
12 one aldehyde (12 in total)
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Number of
conjugated multiple bonds |
12 one aldehyde (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 |
11.464
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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 |
0.073
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| Number of heavy atoms |
36
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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 |
Ref.556: Saelices L, Youssar L, Holdermann I, Al-Babili S, Avalos J., Mol Genet Genomics. 2007 Nov;278(5):527-37. Epub 2007 Jul 4., PMID: 17610084 DOI: 10.1007/s00438-007-0269-2, "Identification of the gene responsible for torulene cleavage in the Neurospora carotenoid pathway.".
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CAS |
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Links to other DB |
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