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Entry
CA00727                                                            
Classification
Carotenoid Name
Tethyatene
IUPAC name 3,4-Didehydro-beta,chi-carotene
Formula
C40H50
Molecular Weight 
530.8 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
14
Number of
conjugated multiple bonds 
14
Isomers 
  • Constitutional isomer: CA00314, CA00719, CA00721
    • 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
    Chromatiaceae spp. (Ref.148) - purple sulfur bacteria (Gammaproteobacteria - Chromatiaceae)
    Tethya amamensis (Ref.98) - Sea sponge (Porifera - Tethyidae)
    References
  • Ref.98: Tanaka, Yoshito; Soejima, Takumi; Katayama, Teruhisa, Nippon Suisan Gakkaishi (1978), 44(11), 1283-5., "Biochemical studies of the carotenoids in porifera. Distribution of the carotenoids in porifera".
  • Ref.148: Schaeffer, Philippe; Adam, Pierre; Wehrung, Patrick; Albrecht, Pierre, Tetrahedron Letters (1997), 38(48), 8413-8416., "Novel aromatic carotenoid derivatives from sulfur photosynthetic bacteria in sediments".
    • CAS
    65252-69-9
    Links to other DB
    KNApSAcK: C00022805

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