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Entry
CA00465                                                            

Classification
Carotenoid Name
Didehydro-2,2'-diketo-β-carotene;
Didehydro-2,2'-diketo-beta-carotene
IUPAC name 3,4-Didehydro-beta,beta-carotene-2,2'-dione
Formula
C40H50O2
Molecular Weight 
562.8 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
13 including two ketones (13 in total)
Number of
conjugated multiple bonds 
13 including two ketones (13 in total)
Isomers 
  • Constitutional isomer: CA00464, CA00466, CA00726
  • InChI

    InChIKey

    Canonical SMILES

    XLogP
    10.428
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    2
    LipinskiFailures
    1
    Complexity of molecule
    0.326
    Number of heavy atoms
    42
    TPSA
    (Topological Polar Surface Area) 
    34.140 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms

    References

    CAS
    63596-35-0
    Links to other DB
    KNApSAcK: C00023045

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