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Carotenoids DB          Carotenoids DB: CA00778   
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Entry
CA00778                                                            
Classification
Carotenoid Name
Renierapurpurin
IUPAC name chi,chi-Carotene
Formula
C40H48
Molecular Weight 
528.784 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
15
Number of
conjugated multiple bonds 
15
Isomers 
  • Constitutional isomer: CA00308, CA00770, CA00781
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    17.704
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    0
    LipinskiFailures
    1
    Complexity of molecule
    0.341
    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)
    Synechococcus sp. PCC 7002 (Ref.153) - Cyanobacteria (Cyanobacteria - Synechococcaceae)
    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".
  • Ref.153: Graham, Joel E.; Lecomte, Juliette T. J.; Bryant, Donald A., Journal of Natural Products (2008), 71(9), 1647-1650., "Synechoxanthin, an aromatic C40 xanthophyll that is a major carotenoid in the cyanobacterium Synechococcus sp. PCC 7002".
    • CAS
    6805-08-9
    Links to other DB
    KNApSAcK: C00022821
    LipidBank: VCA1155
    ProCarDB: C1818

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