Carotenoids obi
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Carotenoids DB          Carotenoids DB: CA01220   
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Entry
CA01220                                                            
Classification
Carotenoid Name
Apo-14'-lycopenal
IUPAC name 14'-Apo-psi-caroten-14'-al
Formula
C22H30O
Molecular Weight 
310.46 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
7 including one aldehyde (7 in total)
Number of
conjugated multiple bonds 
7 including one aldehyde (7 in total)
Isomers 
  • Constitutional isomer: CA00808
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    6.955
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    1
    LipinskiFailures
    1
    Complexity of molecule
    0.000
    Number of heavy atoms
    23
    TPSA
    (Topological Polar Surface Area) 
    17.070 Å2
    Reaction
  • Product: CR00440
    • Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Homo sapiens (Ref.694)  - Mammal: Human (Chordata - Hominidae)
    Solanum lycopersicum (Ref.694) - Land plant: Solanaceae: tomato, same as Lycopersicon esculentum (Streptophyta - Solanaceae)
    Citrullus vulgaris (Ref.694) - Land plant: watermelon (Streptophyta - Cucurbitaceae)
    References
  • Ref.694: R. E. Kopec et al., J Agric Food Chem. 2010 March 24; 58(6), pp. 3290–3296, "Identification and Quantification of Apo-lycopenals in Fruits, Vegetables, and Human Plasma", doi:10.1021/jf100415z..
    • CAS

    Links to other DB

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