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Carotenoids DB          Carotenoids DB: CA00058   
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Entry
CA00058                                                            
Classification
Carotenoid Name
(all-E)-Phytofluene;
all-trans-Phytofluene
IUPAC name 7,8,11,12,7',8'-Hexahydro-psi,psi-carotene
Formula
C40H62
Molecular Weight 
542.896 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
5
Number of
conjugated multiple bonds 
5
Isomers 
  • Constitutional isomer: CA00056, CA00055, CA00054
  • Cis/trans isomer: CA00057, CA00059
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    14.712
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    0
    LipinskiFailures
    2
    Complexity of molecule
    0.000
    Number of heavy atoms
    40
    TPSA
    (Topological Polar Surface Area) 
    0.000 Å2
    Reaction
  • Substrate: CR00115
  • Product: CR00389
    • Pathway
  • Pathway: CB000005,  CB000043,  CB000055,  CB000077,  CB000078,  CB000097,  CB000098,  CB000099,  CB000100,  CB000122,  CB000145
    • Major carotenoid information

    Minor carotenoid information

    Source organisms
    Halobacterium cutirubrum (Ref.331) - Archaea: Euryarchaeota (Euryarchaeota - Halobacteriaceae)
    Rhodobacter capsulatus (Ref.607) - Alphaproteobacteria: photosynthetic purple nonsulfur bacterium (Alphaproteobacteria - Rhodobacteraceae)
    Coccinella septempunctata (Ref.116) - Insect: seven-spotted ladybird (Arthropoda (Insecta) - Coccinellidae)
    References
  • Ref.331: Kushwaha, S. C.; Pugh, E. L.; Kramer, J. K. G.; Kates, M., Biochimica et Biophysica Acta, Lipids and Lipid Metabolism (1972), 260(3), 492-506., "Isolation and identification of dehydrosqualene and C40 carotenoid pigments in Halobacterium cutirubrum cutirubrum".
  • Ref.607: Glenn E. Bartley and PabloA. Scolnik (1989), The Journal of Biological Chemistry, vol.264, No.22, Issu of August 5, pp.13109-13113, “Carotenoid Biosynthesis inPhotosynthetic Bacteria”.
  • Ref.116: Britton, George; Lockley, William J. S.; Harriman, Garry A.; Goodwin, Trevor W., Nature (London, United Kingdom) (1977), 266(5597), 49-50., "Pigmentation of the ladybird beetle Coccinella septempunctata by carotenoids not of plant origin".
    • CAS
    540-05-6
    Links to other DB
    KEGG COMPOUND: C05414

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