Carotenoids obi
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Entry
CA00540                                                            
Classification
Carotenoid Name
4-Keto-3',4'-dehydro-β-carotene;
3',4'-didehydro-β-caroten-4-one;
4-Keto-3',4'-dehydro-beta-carotene;
3',4'-didehydro-beta-caroten-4-one
IUPAC name 3',4'-Didehydro-beta,beta-caroten-4-one
Formula
C40H52O
Molecular Weight 
548.816 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
13 including one ketone (13 in total)
Number of
conjugated multiple bonds 
13 including one ketone (13 in total)
Isomers 
  • Constitutional isomer: CA00160, CA00254, CA00255, CA00320, CA00364, CA00460, CA00724, CA00729
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    12.647
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    1
    LipinskiFailures
    1
    Complexity of molecule
    0.323
    Number of heavy atoms
    41
    TPSA
    (Topological Polar Surface Area) 
    17.070 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Xantho poressa (Ref.307) - Crustacean: crab (Arthropoda - Xanthidae)
    References
  • Ref.307: Bilaus, Corina; Nicoara, Elena; Bodea, C.; Petrescu, I., Studii si Cercetari de Biochimie (1972), 15(1), 5-8., "Carotenoids of the decapod Crustacean Xantho poressa".
    • CAS
    991-90-2
    Links to other DB

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