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Carotenoids DB          Carotenoids DB: CA00177   
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Entry
CA00177                                                            
Classification
Carotenoid Name
P 500
IUPAC name (13Z)-1,1'-Dimethoxy-1,2,1',2'-tetrahydro-psi,psi-caroten-20-al
Formula
C42H62O3
Molecular Weight 
614.916 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
12 including one aldehyde (12 in total)
Number of
conjugated multiple bonds 
12 including one aldehyde (12 in total)
Isomers 
  • Cis/trans isomer: CA00158
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    11.997
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    3
    LipinskiFailures
    2
    Complexity of molecule
    0.000
    Number of heavy atoms
    45
    TPSA
    (Topological Polar Surface Area) 
    35.530 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Chromatium warmingii Migula (Ref.350) - purple sulfur bacteria (Gammaproteobacteria - Chromatiaceae)
    References
  • Ref.350: Aasen, Arne J.; Liaaen Jensen, Synnoev, Acta Chemica Scandinavica (1947-1973) (1967), 21(8), 2185-204., "Bacterial carotenoids. XXIV. Carotenoids of Thiorhodaceae. 7 Cross-conjugated carotenals".
    • CAS
    17884-86-5
    Links to other DB

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