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Entry
CA00561                                                            

Classification
Carotenoid Name
19-Hexanoyloxyfucoxanthinol
IUPAC name (3S,3'S,5R,5'R,6S,6'R)-6',7'-Didehydro-5,6-epoxy-5',6,6',7-tetrahydro-3,3',5'-trihydroxy-19'-[(1-oxohexyl)oxy]-beta,beta-carotene
Formula
C46H66O7
Molecular Weight 
730.988 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
9 including one ketone and one ester (9 in total)
Number of
conjugated multiple bonds 
9 including one ketone and one ester (9 in total)
Isomers 
  • Constitutional isomer: CA00103, CA00946, CA00230, CA00961, CA00212, CA00240, CA00211, CA00269
  • InChI

    InChIKey

    Canonical SMILES

    XLogP
    9.953
    Hydrogen Bond donors
    (Lipinski's definition)
    3
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    7
    LipinskiFailures
    2
    Complexity of molecule
    0.261
    Number of heavy atoms
    53
    TPSA
    (Topological Polar Surface Area) 
    116.590 Å2
    Reaction
    Pathway
    Major carotenoid information
    Major in many haptophytes and dinoflagellates (Ref.707).
    Minor carotenoid information

    Source organisms
    Pelagococcus subviridis (Ref.29) - Alga: Pelagophyceae ((Stramenopiles) - Pelagomonadales)
    References
  • Ref.29: T.Bjoernland, S. Liaaen-Jensen, and J. Throndsen, Phytochemistry, Vol. 28, No. 12, pp. 3347-3353, 1989; "Carotenoids of the marine chrysophyte Pelagococcus subviridis".
  • Ref.707: Suzanne Roy et al., Phytoplankton Pigments Characterization, Chemotaxonomy and Applications in Oceanography, October 2011, Cambridge University Press, pp 665-674, "Part VII - Data sheets aiding identification of phytoplankton carotenoids and chlorophylls", available at http://www.cambridge.org/gb/files/2013/6697/5826/Data_sheets_part_3_Xanthophylls.pdf, ISBN: 9781107000667.
  • CAS
    63929-20-4
    Links to other DB
    KNApSAcK: C00023038
    LipidBank: VCA0055

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