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Entry
CA01043                                                            

Classification
Carotenoid Name
Retinyl palmitate;
Retinol hexadecanoate;
Vitatmin A palmitate;
all-trans-Retinyl palmitate;
Retinol palmitate
IUPAC name 15-Apo-15-hexadecanoyloxy-beta-carotene
Formula
C36H60O2
Molecular Weight 
524.84 g/mol
Structure   
Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
  • The major strage form of vitamin A (Ref.579).
  • Number of
    conjugated double bonds 
    5
    Number of
    conjugated multiple bonds 
    5
    Isomers 
  • Cis/trans isomer: CA01042
  • InChI
    InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20+,27-26+,31-22+,32-28+
    InChIKey
    VYGQUTWHTHXGQB-FFHKNEKCSA-N
    Canonical SMILES
    CCCCCCCCCCCCCCCC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C
    XLogP
    14.548
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    2
    LipinskiFailures
    2
    Complexity of molecule
    0.061
    Number of heavy atoms
    38
    TPSA
    (Topological Polar Surface Area) 
    26.300 Å2
    Source organisms

    References
  • Ref.579 : Alexander R. Moise, Johannes von Lintig and Krzysztof Palczewski, TRENDS in Plant Science Vol.10 No.4 April 2005, "Related enzymes solve evolutionarily recurrent problems in the metabolism of carotenoids".
  • CAS
    79-81-2
    Links to other DB

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