Carotenoids obi
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Carotenoids DB          Carotenoids DB: CA00836   
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Entry
CA00836                                                            
Classification
Carotenoid Name
Methyl beta-apo-8'-carotenoate
IUPAC name Methyl 8'-apo-beta-caroten-8'-oate
Formula
C31H42O2
Molecular Weight 
446.646 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
10 including one carboxylic acid methyl (10 in total)
Number of
conjugated multiple bonds 
10 including one carboxylic acid methyl (10 in total)
Isomers 
  • Constitutional isomer: CA00791, CA00835
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    9.924
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    2
    LipinskiFailures
    1
    Complexity of molecule
    0.080
    Number of heavy atoms
    33
    TPSA
    (Topological Polar Surface Area) 
    26.300 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms

    References

    CAS
    4273-73-8
    Links to other DB
    KNApSAcK: C00023115

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