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Entry
CA00845                                                            
Classification
Carotenoid Name
β-Apo-12'-carotenoic acid;
beta-Apo-12'-carotenoic acid
IUPAC name 12'-Apo-beta-caroten-12'-oic acid
Formula
C25H34O2
Molecular Weight 
366.522 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
8 including one carboxylic acid (8 in total)
Number of
conjugated multiple bonds 
8 including one carboxylic acid (8 in total)
Isomers 
  • Constitutional isomer: CA00810
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    7.823
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    2
    LipinskiFailures
    1
    Complexity of molecule
    0.098
    Number of heavy atoms
    27
    TPSA
    (Topological Polar Surface Area) 
    37.300 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Rattus norvegicus  - Mammal: Rodent (Chordata - Muridae)
    References

    CAS
    1053-30-1
    Links to other DB

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