Carotenoids obi
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Entry
CA00790                                                            
Classification
Carotenoid Name
Apo-6'-lycopenal;
Apo-2-lycopenal
IUPAC name 6'-Apo-psi-caroten-6'-al
Formula
C32H42O
Molecular Weight 
442.656 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
11 including one aldehyde (11 in total)
Number of
conjugated multiple bonds 
11 including one aldehyde (11 in total)
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
10.515
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
33
TPSA
(Topological Polar Surface Area) 
17.070 Å2
Reaction
  • Product: CR00438
    • Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Solanum lycopersicum (Ref.346, Ref.694) - Land plant: Solanaceae: tomato, same as Lycopersicon esculentum (Streptophyta - Solanaceae)
    Citrullus vulgaris (Ref.694) - Land plant: watermelon (Streptophyta - Cucurbitaceae)
    Homo sapiens (Ref.694) - Mammal: Human (Chordata - Hominidae)
    References
  • Ref.346: Avraham Ben-Aziz, George Britton, Trevor W. Goodwin, Phytochemistry, Volume 12, Issue 11, November 1973, Pages 2759-2764, "Carotene epoxides of Lycopersicon esculentum".
  • 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
    22255-36-3
    Links to other DB
    KNApSAcK: C00023105

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