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Entry
CA00522                                                            

Classification
Carotenoid Name
4-Ketonostoxanthin 3'-sulphate
IUPAC name Sodium (2R,3R,2'R,3'S)-2,2',3'-Trihydroxy-4'-oxo-beta,beta-caroten-3-yl sulphate
Formula
C40H54O8S.Na
Molecular Weight 
717.892 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
12 including one ketone (12 in total)
Number of
conjugated multiple bonds 
12 including one ketone (12 in total)
Isomers 
  • Constitutional isomer: CA00537, CA00757
  • InChI

    InChIKey

    Canonical SMILES

    XLogP
    6.576
    Hydrogen Bond donors
    (Lipinski's definition)
    3
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    8
    LipinskiFailures
    2
    Complexity of molecule
    0.294
    Number of heavy atoms
    49
    TPSA
    (Topological Polar Surface Area) 
    152.570 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms

    References

    CAS
    1177937-34-6, 184849-34-1
    Links to other DB
    LipidBank: VCA1078

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