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Entry
CA00932                                                            

Classification
Carotenoid Name
C.p.450
IUPAC name (2R,2'R)-2,2'-Bis-(4-hydroxy-3-methylbut-2-enyl)-beta,beta-carotene
Formula
C50H72O2
Molecular Weight 
705.076 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
11
Number of
conjugated multiple bonds 
11
Isomers 
  • Constitutional isomer: CA00916, CA00917, CA00929, CA00931, CA00936, CA00942
  • InChI

    InChIKey

    Canonical SMILES

    XLogP
    14.704
    Hydrogen Bond donors
    (Lipinski's definition)
    2
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    2
    LipinskiFailures
    2
    Complexity of molecule
    0.242
    Number of heavy atoms
    52
    TPSA
    (Topological Polar Surface Area) 
    40.460 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Corynebacterium glutamicum (Ref.190) - Actinobacteria: amino acid producing bacteria (Actinobacteria - Corynebacteriaceae)
    Corynebacterium poinsettiae (Ref.386) - Actinobacteria (Actinobacteria - Corynebacteriaceae)
    References
  • Ref.190: Heider, Sabine A. E.; Peters-Wendisch, Petra; Netzer, Roman; Stafnes, Marit; Brautaset, Trygve; Wendisch, Volker F., Applied Microbiology and Biotechnology (2014), 98(3), 1223-1235., "Production and glucosylation of C50 and C40 carotenoids by metabolically engineered Corynebacterium glutamicum".
  • Ref.386: Andrewes, Arthur G.; Liaaen-Jensen, Synnoeve, Tetrahedron Letters (1984), 25(11), 1191-4., "C50 carotenoids. Part 21. Revision of the structures of the bacterial C50-carotenoids C.p. 450 and C.p. 473".
  • CAS
    54783-71-0
    Links to other DB
    KNApSAcK: C00023081

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