Carotenoids obi
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Entry
CA00833                                                            
Classification
Carotenoid Name
β-Citraurinol;
beta-Citraurinol
IUPAC name (3R)-8'-Apo-beta-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 
9
Number of
conjugated multiple bonds 
9
Isomers 
  • Constitutional isomer: CA00873
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    7.092
    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
  • Substrate: CR00027,  CR00035
    • Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Nostoc sp. PCC 7120 (Ref.560) - Cyanobacteria: same as Anabaena sp. PCC 7120 (Cyanobacteria - Nostocaceae)
    Aplysia kurodai (Ref.227) - Kuroda's sea hare (Mollusca - Aplysiidae)
    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.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
    57593-78-9
    Links to other DB

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