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Entry
CA01202                                                            
Classification
Carotenoid Name
10'-Apoastaxanthinal
IUPAC name (3S)-10'-Apo-3-hydroxy-4-keto-beta-caroten-10'-al
Formula
C27H34O3
Molecular Weight 
406.542 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 
    10 including one aldehyde and one ketone (10 in total)
    Number of
    conjugated multiple bonds 
    10 including one aldehyde and on ketone (10 in total)
    Isomers 
    InChI

    InChIKey

    Canonical SMILES

    XLogP
    6.290
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    3
    LipinskiFailures
    1
    Complexity of molecule
    0.094
    Number of heavy atoms
    30
    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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