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Carotenoids DB          Carotenoids DB: CA00355   
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Entry
CA00355                                                            
Classification
Carotenoid Name
6-Epineoflor
IUPAC name (3S,5R,6S,3'S,5'R,6'R)-6',7'-Didehydro-5,6,5',6'-tetrahydro-beta,beta-carotene-3,5,6,3',5'-pentol
Formula
C40H58O5
Molecular Weight 
618.864 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 
  • Conformer: CA00356
  • Constitutional isomer: CA00427, CA00446, CA00447, CA00425, CA00426, CA00702, CA00751
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    9.730
    Hydrogen Bond donors
    (Lipinski's definition)
    5
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    5
    LipinskiFailures
    1
    Complexity of molecule
    0.291
    Number of heavy atoms
    45
    TPSA
    (Topological Polar Surface Area) 
    101.150 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms

    References

    CAS
    131722-54-8
    Links to other DB
    KNApSAcK: C00022932

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