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Carotenoids DB          Carotenoids DB: CA00996   
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Entry
CA00996                                                            
Classification
Carotenoid Name
Lycopenal;
Anhydrowarmingone;
Lycopen-20-al
IUPAC name (13Z)-psi,psi-Caroten-20-al
Formula
C40H54O
Molecular Weight 
550.832 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: CA00154
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    13.175
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    1
    LipinskiFailures
    2
    Complexity of molecule
    0.000
    Number of heavy atoms
    41
    TPSA
    (Topological Polar Surface Area) 
    17.070 Å2
    Reaction
    Pathway
  • Pathway: CB000043
    • Major carotenoid information

    Minor carotenoid information

    Source organisms
    Chromatium warmingii Migula (Ref.350) - purple sulfur bacteria (Gammaproteobacteria - Chromatiaceae)
    Thiodictyon elegans (Ref.121) - purple sulfur bacteria (Gammaproteobacteria - Chromatiaceae)
    Thiodictyon strain 3011 (Ref.351) - purple sulfur bacteria (Gammaproteobacteria - Chromatiaceae)
    Lamprocystis roseopersicina (Ref.351) - purple sulfur bacteria (Gammaproteobacteria - Chromatiaceae)
    Rhodopseudomonas viridis (Ref.120) - Alphaproteobacteria: phototrophic purple non-sulfur bacteria (Alphaproteobacteria - Bradyrhizobiaceae)
    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".
  • Ref.120: Britton, George; Malhotra, Harish C.; Singh, Raj K.; Goodwin, Trevor W.; Ben-Aziz, Avraham, Phytochemistry (Elsevier) (1976), 15(11), 1749-51., "Cross-​conjugated carotenoid aldehydes in Rhodopseudomonas viridis".
  • Ref.121: Pfennig, Norbert; Markham, M. Clare; Liaaen-Jensen, Synnoeve, Archiv fuer Mikrobiologie (1968), 62, 178-91., "Carotenoids of Thiorhodaceae. VIII. Isolation and characterization of a Thiothece, Lamprocystis, and Thiodictyon strain and their carotenoid pigments".
  • Ref.351: Francis, G. W.; Liaaen Jensen, Synnoeve, Acta Chemica Scandinavica (1947-1973) (1970), 24(8), 2705-12., "Bacterial carotenoids. XXXIII. Carotenoids of thiorhodaceae. 9. Structures of the carotenoids of the rhodopinal series".
    • CAS
    17884-81-0
    Links to other DB
    ProCarDB: C0511

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