Carotenoids obi
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Carotenoids DB          Carotenoids DB: CA00853   
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Entry
CA00853                                                            
Classification
Carotenoid Name
β-Apo-8'-carotenic acid;
beta-Apo-8'-carotenic acid
IUPAC name 8'-Apo-beta-caroten-8'-oic acid
Formula
C30H40O2
Molecular Weight 
432.62 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
10 including one carboxylic acid (10 in total)
Number of
conjugated multiple bonds 
10 including one carboxylic acid (10 in total)
Isomers 
  • Constitutional isomer: CA01126, CA00015, CA00880, CA00832
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    9.603
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    2
    LipinskiFailures
    1
    Complexity of molecule
    0.083
    Number of heavy atoms
    32
    TPSA
    (Topological Polar Surface Area) 
    37.300 Å2
    Reaction
  • Product: CR00219
    • Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms

    References

    CAS
    1962-15-8
    Links to other DB

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