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Entry
CA00568                                                            

Classification
Carotenoid Name
Bisdehydro-β-carotene-2-carboxylic acid;
Bisdehydro-beta-carotene-2-carboxylic acid
IUPAC name 3,4,3',4'-Tetradehydro-beta,beta-carotene-2-carboxylic acid
Formula
C41H52O2
Molecular Weight 
576.826 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
14 including one ester (14 in total)
Number of
conjugated multiple bonds 
14 including one ester (14 in total)
Isomers 
  • Constitutional isomer: CA00734, CA00733
  • InChI

    InChIKey

    Canonical SMILES

    XLogP
    13.035
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    2
    LipinskiFailures
    2
    Complexity of molecule
    0.316
    Number of heavy atoms
    43
    TPSA
    (Topological Polar Surface Area) 
    37.300 Å2
    Reaction
    Pathway
    Major carotenoid information
    Major carotenoid pigment in psychrotrophic Micrococcus roseus (Ref.749).
    Minor carotenoid information

    Source organisms
    Micrococcus roseus  - Actinobacteria (Actinobacteria - Micrococcaceae)
    References
  • Ref.749: Jagannadham MV, Chattopadhyay MK, Shivaji S., Biochem Biophys Res Commun. 1996 Mar 27;220(3):724-8., "The major carotenoid pigment of a psychrotrophic Micrococcus roseus strain: fluorescence properties of the pigment and its binding to membranes.".
  • CAS
    138523-03-2
    Links to other DB
    ProCarDB: C1083

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