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Entry
CA00849                                                            
Classification
Carotenoid Name
F348
IUPAC name 10',11'-Didehydro-5,8,11',12'-tetrahydro-10'-apo-beta-carotene-3,5,8-triol
Formula
C27H40O3
Molecular Weight 
412.59 g/mol
Structure      Search similar carotenoids

Mol file
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Biological functions/Properties 
Number of
conjugated double bonds 
5
Number of
conjugated multiple bonds 
5
Isomers 
  • Constitutional isomer: CA00824
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    4.977
    Hydrogen Bond donors
    (Lipinski's definition)
    3
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    3
    LipinskiFailures
    0
    Complexity of molecule
    0.086
    Number of heavy atoms
    30
    TPSA
    (Topological Polar Surface Area) 
    60.690 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Persea americana (Ref.202) - Land plant: avocado (Streptophyta - Lauraceae)
    References
  • Ref.202: Gross, Jeana; Gabai, Michaela; Lifshitz, Abraham; Sklarz, Benjamin, Phytochemistry (Elsevier) (1974), 13(9), 1917-21., "Structures of some carotenoids from pulp of Persea americana".
    • CAS
    53905-14-9
    Links to other DB

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