Carotenoids obi
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Entry
CA01037                                                            
Classification
Carotenoid Name
(all-E)-4-Hydroxyretinoic acid;
4-Hydroxy-all-trans-retinoic acid;
4-OH-atRA
IUPAC name 4-Hydroxy-15-apo-beta-caroten-15-oic acid
Formula
C20H28O3
Molecular Weight 
316.424 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
6 including one carboxylic acid (6 in total)
Number of
conjugated multiple bonds 
6 including one carboxylic acid (6 in total)
Isomers 
  • Constitutional isomer: CA01039, CA01040
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    4.224
    Hydrogen Bond donors
    (Lipinski's definition)
    2
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    3
    LipinskiFailures
    0
    Complexity of molecule
    0.118
    Number of heavy atoms
    23
    TPSA
    (Topological Polar Surface Area) 
    57.530 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms

    References

    CAS
    66592-72-1
    Links to other DB

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