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Carotenoids DB          Carotenoids DB: CA00792   
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Entry
CA00792                                                            
Classification
Carotenoid Name
Thiothece-460
IUPAC name 1-Methoxy-4-oxo-1,2-dihydro-8'-apo-psi-caroten-8'-al
Formula
C31H42O3
Molecular Weight 
462.646 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
11 including one ketone and one aldehyde (11 in total)
Number of
conjugated multiple bonds 
11 including one ketone and one aldehyde (11 in total)
Isomers 
  • Constitutional isomer: CA01008, CA00860, CA00838
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    7.470
    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
    34
    TPSA
    (Topological Polar Surface Area) 
    43.370 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms

    References

    CAS
    38647-29-9
    Links to other DB
    KNApSAcK: C00023121

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