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Entry
CA01203                                                            
Classification
Carotenoid Name
8'-Apoastaxanthinal
IUPAC name (3S)-8'-Apo-3-hydroxy-4-keto-beta-caroten-8'-al
Formula
C30H38O3
Molecular Weight 
446.604 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
  • An auto-oxidized product reacted with atmospheric oxygen at 55℃ in the dark for 35 days (Ref.629).
    • Number of
    conjugated double bonds 
    11 including one aldehyde and one ketone (11 in total)
    Number of
    conjugated multiple bonds 
    11 including one aldehyde and one ketone (11 in total)
    Isomers 
    InChI

    InChIKey

    Canonical SMILES

    XLogP
    7.165
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    3
    LipinskiFailures
    1
    Complexity of molecule
    0.085
    Number of heavy atoms
    33
    TPSA
    (Topological Polar Surface Area) 
    54.370 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Thermal degraded product (Ref.629) - Thermal degraded product (Unclassified non-living matter - Unclassified non-living matter)
    References
  • Ref.629: H. Ethoh, M.Suhara, S. Tokuyama, H. Kato, R. Nakahigashi, Y. Maejima, M. Ishikura, Y. Yarada, and T. Maoka, Journal of Oleo Science 61, (1), 17-21 (2012), "Auto-oxidation Products of Astaxanthin".
    • CAS

    Links to other DB

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