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Carotenoids DB          Carotenoids DB: CA00716   
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Entry
CA00716                                                            
Classification
Carotenoid Name
χ,ψ-Carotene;
chi,psi-Carotene
IUPAC name chi,psi-Carotene
Formula
C40H52
Molecular Weight 
532.816 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
13
Number of
conjugated multiple bonds 
13
Isomers 
  • Constitutional isomer: CA00068, CA00704, CA00319, CA00722
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    16.145
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    0
    LipinskiFailures
    2
    Complexity of molecule
    0.065
    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)
    References
  • 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
    36728-71-9
    Links to other DB

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