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Entry
CA00308                                                            

Classification
Carotenoid Name
Octadehydro-β-carotene;
Octadehydro-beta-carotene
IUPAC name 3,4,7,8,3',4',7',8'-Octadehydro-beta,beta-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 
7, 2, and 2 (11 in total)
Number of
conjugated multiple bonds 
13
Isomers 
  • Constitutional isomer: CA00770, CA00778, CA00781
  • InChI

    InChIKey

    Canonical SMILES

    XLogP
    14.438
    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
    Euglena viridis (Ref.44) - Alga: Euglena (Euglenida - Euglenaceae)
    References
  • Ref.44: A. Fiksdahl, S. Liaaen-Jensen, Phytochemistry, Vol.27, No.5, pp. 1447 - 1450, 1988 "Diacetylenic carotenoids from Euglena viridis".
  • CAS
    116180-16-6
    Links to other DB
    KNApSAcK: C00022801

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