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Entry
CA00855                                                            
Classification
Carotenoid Name
IUPAC name 5,8-Epoxy-3-hydroxy-5,8-dihydro-8'-apo-beta-caroten-8'-al
Formula
C30H40O3
Molecular Weight 
448.62 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
8 including one aldehyde (8 in total)
Number of
conjugated multiple bonds 
8 including one aldehyde (8 in total)
Isomers 
  • Constitutional isomer: CA00028, CA00859, CA00837, CA00798, CA00882
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    5.545
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    3
    LipinskiFailures
    1
    Complexity of molecule
    0.123
    Number of heavy atoms
    33
    TPSA
    (Topological Polar Surface Area) 
    46.530 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Citrus sinensis  - Land plant: orange (Streptophyta - Rutaceae)
    References

    CAS
    54899-35-3
    Links to other DB

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