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Entry
CA00951                                                            
Classification
Carotenoid Name
(3'Z,5'Z)-Torulene
IUPAC name (3'Z,5'Z)-3',4'-Didehydro-beta,psi-carotene
Formula
C40H54
Molecular Weight 
534.832 g/mol
Structure      Search similar carotenoids

Mol file
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Biological functions/Properties 
Number of
conjugated double bonds 
13
Number of
conjugated multiple bonds 
13
Isomers 
  • Cis/trans isomer: CA00190
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    14.618
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    0
    LipinskiFailures
    2
    Complexity of molecule
    0.064
    Number of heavy atoms
    40
    TPSA
    (Topological Polar Surface Area) 
    0.000 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Celastrus orbiculatus (Ref.205) - Land plant (Streptophyta - Celastraceae)
    References
  • Ref.205: Takashi Maoka, Phytochemistry, vol. 70, Issue 7, May 2009, pp.920-923, "Sterically hindered carotenoids with 3Z, 5Z configuration from the seeds of oriental bitter sweet, Celastrus orbiculatus".
    • CAS
    1172110-65-4
    Links to other DB

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