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Carotenoids DB          Carotenoids DB: CA00749   
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Entry
CA00749                                                            
Classification
Carotenoid Name
4-Oxomytiloxanthin
IUPAC name 3,3',8'-Trihydroxy-7,8-didehydro-beta,kappa-carotene-4,6'-dione
Formula
C40H52O5
Molecular Weight 
612.816 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
9 and 2 including two ketones (11 in total)
Number of
conjugated multiple bonds 
12 including two ketones (12 in total)
Isomers 
  • Constitutional isomer: CA01241, CA01242, CA00510, CA00672, CA00756
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    8.710
    Hydrogen Bond donors
    (Lipinski's definition)
    3
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    5
    LipinskiFailures
    1
    Complexity of molecule
    0.309
    Number of heavy atoms
    45
    TPSA
    (Topological Polar Surface Area) 
    94.830 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms

    References

    CAS
    84537-00-8
    Links to other DB
    KNApSAcK: C00023067
    LipidBank: VCA0064

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