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Carotenoids DB          Carotenoids DB: CA00719   
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Entry
CA00719                                                            
Classification
Carotenoid Name
3,4-Dehydro-γ,χ-carotene;
3,4-Dehydro-gamma,chi-carotene
IUPAC name (6S)-3,4-Didehydro-gamma,chi-carotene
Formula
C40H50
Molecular Weight 
530.8 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
12 and 2 (14 in total)
Number of
conjugated multiple bonds 
12 and 2 (14 in total)
Isomers 
  • Constitutional isomer: CA00314, CA00721, CA00727
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    16.603
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    0
    LipinskiFailures
    1
    Complexity of molecule
    0.333
    Number of heavy atoms
    40
    TPSA
    (Topological Polar Surface Area) 
    0.000 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms

    References

    CAS
    -
    Links to other DB
    KNApSAcK: C00022810

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