Carotenoids obi
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Entry
CA00028                                                            
Classification
Carotenoid Name
4'-Hydroxy-4,4'-diaponeurosporene-4-oic acid
IUPAC name 7',8'-Dihydro-4'-hydroxy-4,4'-diapo-psi,psi-caroten-4-oic acid
Formula
C30H40O3
Molecular Weight 
448.62 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
10
Number of
conjugated multiple bonds 
10
Isomers 
  • Constitutional isomer: CA00859, CA00837, CA00798, CA00855, CA00882
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    7.648
    Hydrogen Bond donors
    (Lipinski's definition)
    2
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    3
    LipinskiFailures
    2
    Complexity of molecule
    0.000
    Number of heavy atoms
    33
    TPSA
    (Topological Polar Surface Area) 
    57.530 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Staphylococcus aureus 209P (Ref.81) - Firmicutes - Bacilli (Firmicutes - Staphylococcaceae)
    References
  • Ref.81: Taylor, Richard F.; Davies, Brian H., Canadian Journal of Biochemistry and Cell Biology (1983), 61(8), 892-905., "The triterpenoid carotenoids and related terpenoids in Staphylococcus aureus 209P".
    • CAS
    87701-38-0
    Links to other DB

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