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Carotenoids DB          Carotenoids DB: CA00669   
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Entry
CA00669                                                            
Classification
Carotenoid Name
Lutein 3-pyropheophorbide A ester
IUPAC name (3R,3'R,6'R)-3-[(3S,4S)-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoate]-beta,epsilon-Carotene-3,3'-diol
Formula
C73H88N4O4
Molecular Weight 
1085.474 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
10 and 12 (22 in total)
Number of
conjugated multiple bonds 
10 and 12 (22 in total)
Isomers 
  • Constitutional isomer: CA00670
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    16.972
    Hydrogen Bond donors
    (Lipinski's definition)
    3
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    8
    LipinskiFailures
    2
    Complexity of molecule
    0.355
    Number of heavy atoms
    81
    TPSA
    (Topological Polar Surface Area) 
    120.960 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Haliotis diversicolor aquatilis (Ref.157) - Shellfish: Abalone (Mollusca - Haliotoidea)
    References
  • Ref.157: Maoka, Takashi; Etoh, Tetsuji; Akimoto, Naoshige; Yasui, Hiroyuki, Tetrahedron Letters (2011), Volume52 Issue23 Pages3012-3015, DOI:10.1016/j.tetlet.2011.03.14, "Novel carotenoid pyropheophorbide A esters from abalone".
    • CAS
    1311273-04-7
    Links to other DB

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