Carotenoids obi
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Entry
CA00880                                                            
Classification
Carotenoid Name
α-Citraurin;
alpha-Citraurin
IUPAC name 3-Hydroxy-8'-apo-epsilon,psi-caroten-8'-al
Formula
C30H40O2
Molecular Weight 
432.62 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: CA01126, CA00015, CA00853, CA00832
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    8.318
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    2
    LipinskiFailures
    1
    Complexity of molecule
    0.083
    Number of heavy atoms
    32
    TPSA
    (Topological Polar Surface Area) 
    37.300 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Persea americana (Ref.227) - Land plant: avocado (Streptophyta - Lauraceae)
    Aplysia kurodai (Ref.227) - Kuroda's sea hare (Mollusca - Aplysiidae)
    References
  • Ref.227: Yamashita, Eiji; Matsuno, Takao, Comparative Biochemistry and Physiology, Part B: Biochemistry & Molecular Biology (1990), 96B(3), 465-70., "A new apocarotenoid from the sea hare Aplysia kurodai".
    • CAS
    514-79-4
    Links to other DB

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