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Carotenoids DB          Carotenoids DB: CA01125   
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Entry
CA01125                                                            
Classification
Carotenoid Name
Tetradehydrolycopendial
IUPAC name 3,4,3',4'-Tetradehydro-psi,psi-caroten-16,16'-dial
Formula
C40H48O2
Molecular Weight 
560.784 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
17 including two aldehydes (17 in total)
Number of
conjugated multiple bonds 
17 including two aldehydes (17 in total)
Isomers 
  • Constitutional isomer: CA00463, CA00725, CA00732, CA00775
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    11.754
    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
    42
    TPSA
    (Topological Polar Surface Area) 
    34.140 Å2
    Reaction
  • Product: CR00003
    • Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms

    References

    CAS

    Links to other DB

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