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Carotenoids DB          Carotenoids DB: CA01148   
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Entry
CA01148                                                            
Classification
Carotenoid Name
Apo-10'-lycopenal
IUPAC name 10'-Apo-psi-caroten-10'-al
Formula
C27H36O
Molecular Weight 
376.558 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
9 including one aldehyde (9 in total)
Number of
conjugated multiple bonds 
9 including one aldehyde (9 in total)
Isomers 
  • Constitutional isomer: CA00811
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    8.735
    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
    28
    TPSA
    (Topological Polar Surface Area) 
    17.070 Å2
    Reaction
  • Substrate: CR00068
  • Product: CR00436
    • Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Homo sapiens (Ref.694)  - Mammal: Human (Chordata - Hominidae)
    Nostoc sp. PCC 7120 (Ref.560) - Cyanobacteria: same as Anabaena sp. PCC 7120 (Cyanobacteria - Nostocaceae)
    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.560: Scherzinger D, Ruch S, Kloer DP, Wilde A, Al-Babili S., Biochem J. 2006 Sep 15;398(3):361-9., PMID: 16759173 PMCID: PMC1559462 DOI: 10.1042/BJ20060592, "Retinal is formed from apo-carotenoids in Nostoc sp. PCC7120: in vitro characterization of an apo-carotenoid oxygenase.".
  • 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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