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Entry
CA00754                                                            
Classification
Carotenoid Name
Bastaxanthin B2
IUPAC name Sodium (3R,5'S)-19-hydroxy-3',6'-dioxo-7,8-didehydro-beta,kappa-caroten-3-yl sulphate
Formula
C40H52O7S.Na
Molecular Weight 
699.876 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
9 including one ketone (9 in total)
Number of
conjugated multiple bonds 
11 including one ketone (11 in total)
Isomers 
  • Constitutional isomer: CA00763
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    6.482
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    7
    LipinskiFailures
    2
    Complexity of molecule
    0.303
    Number of heavy atoms
    48
    TPSA
    (Topological Polar Surface Area) 
    129.180 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Ianthella basta (Ref.260) - Sea sponge (Porifera - Ianthellidae)
    References
  • Ref.260: Hertzberg, Sissel; Johansen, Jon E.; Ramdahl, Thomas; Borch, Gunner; Liaaen-Jensen, Synnoeve, Biochemical Systematics and Ecology (1983), 11(3), 267-75. "Carotenoid sulfates. Part 3. Minor carotenoid sulfates from Ianthella basta".
    • CAS
    88907-74-8
    Links to other DB

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