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Carotenoids DB          Carotenoids DB: CA00156   
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Entry
CA00156                                                            

Classification
Carotenoid Name
Methoxylycopenal
IUPAC name 1-Methoxy-1,2-dihydro-psi,psi-caroten-20-al
Formula
C41H58O2
Molecular Weight 
582.874 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
12 including one aldehyde (12 in total)
Number of
conjugated multiple bonds 
12 including one aldehyde (12 in total)
Isomers 
  • Constitutional isomer: CA00090, CA00165, CA00166, CA00265, CA00376
  • InChI

    InChIKey

    Canonical SMILES

    XLogP
    12.586
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    2
    LipinskiFailures
    2
    Complexity of molecule
    0.000
    Number of heavy atoms
    43
    TPSA
    (Topological Polar Surface Area) 
    26.300 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms

    References

    CAS
    31081-67-1
    Links to other DB
    KNApSAcK: C00022963
    LipidBank: VCA1167
    ProCarDB: C0489

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