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Entry
CA00456                                                            

Classification
Carotenoid Name
Vaucheriaxanthin 3-acetate 19'-octanoate
IUPAC name (3S,5R,6S,3'S,5'R,6'R)-5,6-Epoxy-3'-ethanoyloxy-19-octanoyloxy-6',7'-didehydro-5,6,5',6'-tetrahydro-beta,beta-carotene-3,5'-diol
Formula
C50H72O7
Molecular Weight 
785.076 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: CA01216, CA00128, CA00244
  • InChI

    InChIKey

    Canonical SMILES

    XLogP
    13.227
    Hydrogen Bond donors
    (Lipinski's definition)
    2
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    7
    LipinskiFailures
    2
    Complexity of molecule
    0.240
    Number of heavy atoms
    57
    TPSA
    (Topological Polar Surface Area) 
    105.590 Å2
    Reaction
    Pathway
    Major carotenoid information
    Dominant pigment in eustigmatophytes (Ref.707).
    Minor carotenoid information
    Minor in xanthophytes (Ref.707).
    Source organisms
    Nannochloropsis salina  - Alga: Eustigmatophyceae ((Eustigmatophyceae) - Monodopsidaceae)
    References
  • 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
    -
    Links to other DB
    LipidBank: VCA1157

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