Carotenoids obi
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Carotenoids DB          Carotenoids DB: CA00029   
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Entry
CA00029                                                            
Classification
Carotenoid Name
4,4'-Diaponeurosporen-4-oic acid ester
IUPAC name 7',8'-Dihydro-4,4'-diapo-psi,psi-caroten-4-oic acid-ester
Formula
C33H46O2
Molecular Weight 
474.698 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
10 including one ketone (10 in total)
Number of
conjugated multiple bonds 
10 including one ketone (10 in total)
Isomers 
  • Constitutional isomer: CA00290
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    10.631
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    2
    LipinskiFailures
    2
    Complexity of molecule
    0.000
    Number of heavy atoms
    35
    TPSA
    (Topological Polar Surface Area) 
    26.300 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Staphylococcus aureus 209P (Ref.133) - Firmicutes - Bacilli (Firmicutes - Staphylococcaceae)
    References
  • Ref.133: Richard, F. Taylor, Microbiological Reviews, Spet. 1984, pp. 181-198, "Bacterial Triterpenoids".
    • CAS
    -
    Links to other DB

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