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Carotenoids DB          Carotenoids DB: CA00123   
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Entry
CA00123                                                            
Classification
Carotenoid Name
Hydroxydemethylspheroidene;
OH-Demethylspheroidene
IUPAC name 3,4-Didehydro-1,2,1',2',7',8'-hexahydro-psi,psi-carotene-1,1'-diol
Formula
C40H60O2
Molecular Weight 
572.88 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
10
Number of
conjugated multiple bonds 
10
Isomers 
  • Constitutional isomer: CA00088, CA00225, CA00333
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    12.298
    Hydrogen Bond donors
    (Lipinski's definition)
    2
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    2
    LipinskiFailures
    2
    Complexity of molecule
    0.000
    Number of heavy atoms
    42
    TPSA
    (Topological Polar Surface Area) 
    40.460 Å2
    Reaction
  • Substrate: CR00333
  • Product: CR00124,  CR00348
    • Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms

    References

    CAS

    Links to other DB
    LipidBank: VCA1131
    ProCarDB: C1929

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