Carotenoids obi
All carotenoids     All organisms     All pathways     All reactions     Feedback
Carotenoids DB          Carotenoids DB: CA01046   
[   About  |   Help  |   Search carotenoid entry  |   Search organism entry  |   Search similar carotenoids  |   Predict biological activities of this carotenoid  |   Search possible biosynthetic routes of this carotenoid   ]
Entry
CA01046                                                            
Classification
Carotenoid Name
4-Oxoretinaldehyde;
4-Ketoretinal;
all-trans-4-Ketoretinal
IUPAC name 4-oxo-15-apo-beta-caroten-15-al
Formula
C20H26O2
Molecular Weight 
298.408 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
  • Major bioactive retinoid in the Xenopus egg and early embryo (Ref.424).
    • Number of
    conjugated double bonds 
    7 including one aldehyde (7 in total)
    Number of
    conjugated multiple bonds 
    7 including one aldehyde (7 in total)
    Isomers 
    InChI

    InChIKey

    Canonical SMILES

    XLogP
    4.362
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    2
    LipinskiFailures
    0
    Complexity of molecule
    0.125
    Number of heavy atoms
    22
    TPSA
    (Topological Polar Surface Area) 
    34.140 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Xenopus sp. (Ref.424) - frogs & toads (Chordata - Pipidae)
    References
  • Ref.424: B Blumberg, J Bolado, Jr, F Derguini, A G Craig, T A Moreno, D Chakravarti, R A Heyman, J Buck, and R M Evans, Proc Natl Acad Sci U S A. 1996 May 14; 93(10): 4873–4878, "Novel retinoic acid receptor ligands in Xenopus embryos".
    • CAS
    33532-44-4
    Links to other DB

       Searching other references with Google Scholar or searching the colour of this carotenoid by Google image search