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Entry
CA01038                                                            
Classification
Carotenoid Name
(all-E)-4-Oxoretinoic acid;
4-Ketoretinoic acid;
4-Oxo-atRA;
4-Oxotretinoin
IUPAC name 4-oxo-15-apo-beta-caroten-15-oic acid
Formula
C20H26O3
Molecular Weight 
314.408 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
7 including one carboxylic acid (7 in total)
Number of
conjugated multiple bonds 
7 including one carboxylic acid (7 in total)
Isomers 
  • Constitutional isomer: CA01199
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    4.281
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    3
    LipinskiFailures
    0
    Complexity of molecule
    0.122
    Number of heavy atoms
    23
    TPSA
    (Topological Polar Surface Area) 
    54.370 Å2
    Reaction
  • Product: CR00233
    • Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms

    References

    CAS
    38030-57-8
    Links to other DB

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