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Entry
CA00681                                                            
Classification
Carotenoid Name
(6S,6'S)-ε-Carotene;
(6S,6'S)-epsilon-Carotene
IUPAC name (6S,6'S)-epsilon,epsilon-Carotene
Formula
C40H56
Molecular Weight 
536.848 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: CA00043, CA00045, CA00191, CA00298, CA00305, CA00309, CA00587, CA01191, CA00677, CA00720
  • Enantiomer: CA00680
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    15.640
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    0
    LipinskiFailures
    1
    Complexity of molecule
    0.312
    Number of heavy atoms
    40
    TPSA
    (Topological Polar Surface Area) 
    0.000 Å2
    Reaction
    Pathway
    Major carotenoid information

    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".
    • CAS
    125411-81-6
    Links to other DB
    KNApSAcK: C00022814

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