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Carotenoids DB          Carotenoids DB: CA00492   
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Entry
CA00492                                                            

Classification
Carotenoid Name
7,8,7',8'-Tetradehydroastaxanthin;
Asterinasaure
IUPAC name (3S,3'S)-3,3'-Dihydroxy-7,8,7',8'-tetradehydro-beta,beta-carotene-4,4'-dione
Formula
C40H48O4
Molecular Weight 
592.784 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
7, 2, and 2 (11 in total)
Number of
conjugated multiple bonds 
13 including two ketones (13 in total)
Isomers 
  • Constitutional isomer: CA00491
  • InChI

    InChIKey

    Canonical SMILES

    XLogP
    9.628
    Hydrogen Bond donors
    (Lipinski's definition)
    2
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    4
    LipinskiFailures
    1
    Complexity of molecule
    0.326
    Number of heavy atoms
    44
    TPSA
    (Topological Polar Surface Area) 
    74.600 Å2
    Reaction
  • Product: CR00242
  • Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Clione limacina (Ref.635) - gastropods (Mollusca - Clionidae)
    Paedoclione doliiformis (Ref.635) - gastropods (Mollusca - Clionidae)
    Asterias rubens (Ref.275) - Starfish (Echinodermata - Asteriidae)
    Carassius auratus (Ref.365) - Bony fish: gold fish (Chordata - Cyprinidae)
    References
  • Ref.275: G. W. Francis, R. R. Upadhyay and S. Liaaen-Jensen, Acta Chemica Scandinavica 24 (1970), pp. 3050-3052, "Animal Carotenoids - The Carotenoids of Asterias rubens Asterinaure".
  • Ref.365: Masahiro Ohkubo, Miyuki Tsushima, Takashi Maoka, Takao Matsuno, Comparative Biochemistry and Physiology Part B: Biochemistry and Molecular Biology, Volume 124, Issue 3, November 1999, Pages 333–340, "Carotenoids and their metabolism in the goldfish Carassius auratus (Hibuna)".
  • Ref.635: Takashi Maoka, Takashi Kuwahara, and Masanao Narita, Mar. Drugs 2014, 12, 1460-1470, "Carotenoids of Sea Angels Clione limacina and Paedoclione doliiformis from the Perspective of the Food Chain", doi:10.3390/md12031460.
  • CAS
    60536-53-0
    Links to other DB
    KNApSAcK: C00023056
    LipidBank: VCA0050
    MassBank: CA000138

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