Carotenoids obi
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Carotenoids DB          Carotenoids DB: CA00873   
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Entry
CA00873                                                            
Classification
Carotenoid Name
α-Citraurinol;
alpha-Citraurinol
IUPAC name (3R,6R)-8'-Apo-epsilo,psi-carotene-3,8'-diol
Formula
C30H42O2
Molecular Weight 
434.636 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
8
Number of
conjugated multiple bonds 
8
Isomers 
  • Constitutional isomer: CA00833
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    7.811
    Hydrogen Bond donors
    (Lipinski's definition)
    2
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    2
    LipinskiFailures
    1
    Complexity of molecule
    0.081
    Number of heavy atoms
    32
    TPSA
    (Topological Polar Surface Area) 
    40.460 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    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
    130196-31-5
    Links to other DB
    KNApSAcK: C00023117

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