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Carotenoids DB          Carotenoids DB: CA01126   
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Entry
CA01126                                                            
Classification
Carotenoid Name
Hydroxy-diaponeurosporenal
IUPAC name 4,4'-Diapo-7',8'-dihydro-4'-hydroxy-psi,psi-carotene-4-al
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
Number of
conjugated multiple bonds 
10
Isomers 
  • Constitutional isomer: CA00015, CA00880, CA00853, CA00832
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    7.729
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    2
    LipinskiFailures
    2
    Complexity of molecule
    0.000
    Number of heavy atoms
    32
    TPSA
    (Topological Polar Surface Area) 
    37.300 Å2
    Reaction
  • Product: CR00211
    • Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Staphylococcus aureus (Ref.540) - Firmicutes - Bacilli (Firmicutes - Staphylococcaceae)
    References
  • Ref.540: Benjamin N. Mijts, Pyung Cheon Lee, Claudia Schmidt-Dannert, Chemistry & Biology, Volume 12, Issue 4, April 2005, Pages 453–460, "Identification of a Carotenoid Oxygenase Synthesizing Acyclic Xanthophylls: Combinatorial Biosynthesis and Directed Evolution".
    • CAS

    Links to other DB

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