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Entry
CA00721                                                            
Classification
Carotenoid Name
Tethyanine
IUPAC name 3,4-Didehydro-beta,phi-carotene
Formula
C40H50
Molecular Weight 
530.8 g/mol
Structure      Search similar carotenoids

Mol file
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Biological functions/Properties 
Number of
conjugated double bonds 
14
Number of
conjugated multiple bonds 
14
Isomers 
  • Constitutional isomer: CA00314, CA00719, CA00727
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    16.105
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    0
    LipinskiFailures
    1
    Complexity of molecule
    0.333
    Number of heavy atoms
    40
    TPSA
    (Topological Polar Surface Area) 
    0.000 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Tethya amamensis (Ref.368) - Sea sponge (Porifera - Tethyidae)
    References
  • Ref.368: Tanaka, Yoshito; Yamamoto, Atsushi, Nippon Suisan Gakkaishi (1984), 50(10), 1787., "The structure of a new carotenoid tethyanine in sea sponge Tethya amamensis".
    • CAS
    94664-02-5
    Links to other DB
    KNApSAcK: C00022803

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