Carotenoids obi
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Carotenoids DB          Carotenoids DB: CA00723   
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Entry
CA00723                                                            
Classification
Carotenoid Name
Isotedaniaxanthin
IUPAC name 7,8-Didehydrp-beta,phi-caroten-3-ol
Formula
C40H50O
Molecular Weight 
546.8 g/mol
Structure      Search similar carotenoids

Mol file
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Biological functions/Properties 
Number of
conjugated double bonds 
11
Number of
conjugated multiple bonds 
13
Isomers 
  • Constitutional isomer: CA01124, CA00363, CA00728
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    14.100
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    1
    LipinskiFailures
    1
    Complexity of molecule
    0.330
    Number of heavy atoms
    41
    TPSA
    (Topological Polar Surface Area) 
    20.230 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Tedania digitata  - Sea sponge (Porifera - Tedaniidae)
    References

    CAS
    73954-32-2
    Links to other DB

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