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Entry
CA00900                                                            
Classification
Carotenoid Name
Carotenonaldehyde
IUPAC name 5,6-Dioxo-10'-apo-5,6-seco-beta-caroten-10'-al
Formula
C27H36O3
Molecular Weight 
408.558 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
9 including one ketone and one aldehyde (9 in total)
Number of
conjugated multiple bonds 
9 including one ketone and one aldehyde (9 in total)
Isomers 
  • Constitutional isomer: CA00820
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    5.690
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    3
    LipinskiFailures
    2
    Complexity of molecule
    0.000
    Number of heavy atoms
    30
    TPSA
    (Topological Polar Surface Area) 
    51.210 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Possible product of ozonolysis (Ref.139) - Possible product of ozonolysis (Unclassified non-living matter - Unclassified non-living matter)
    References
  • Ref.139: Benevides, Clicia Maria de Jesus; Veloso, Marcia Cristina da Cunha; Pereira, Pedro Afonso de Paula; Bittencourt de Andrade, Jailson, Food Chemistry (2011), 126(3), 927-934., "A chemical study of β-carotene oxidation by ozone in an organic model system and the identification of the resulting products".
    • CAS
    1272671-64-3
    Links to other DB

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