Carotenoids obi
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Carotenoids DB          Carotenoids DB: CA01122   
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Entry
CA01122                                                            
Classification
Carotenoid Name
Apo-4'-lycopenal
IUPAC name 4'-Apo-psi,psi-caroten-4'-al
Formula
C35H46O
Molecular Weight 
482.718 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 
  • Constitutional isomer: CA01062
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    11.390
    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
    36
    TPSA
    (Topological Polar Surface Area) 
    17.070 Å2
    Reaction
  • Substrate: CR00225
  • Product: CR00071
    • Pathway
  • Pathway: CB000077
    • Major carotenoid information

    Minor carotenoid information

    Source organisms
    Neurospora crassa (Ref.533) - Fungi: red bread mold (Ascomycota - Sordariaceae)
    References
  • Ref.533: Violeta Díaz-Sáncheza, Alejandro F. Estradaa, M. Carmen Limóna, Salim Al-Babilib and Javier Avalosa, Eukaryotic Cell 2013, 12(9):1305. DOI: 10.1128/EC.00084-13., "The Oxygenase CAO-1 of Neurospora crassa Is a Resveratrol Cleavage Enzyme".
    • CAS

    Links to other DB

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