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Entry
CA00553                                                            
Classification
Carotenoid Name
(15Z)-Astaxanthin;
15-cis-Astaxanthin
IUPAC name (15Z)-3,3'-Dihydroxy-beta,beta-carotene-4,4'-dione
Formula
C40H52O4
Molecular Weight 
596.816 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
13 including two ketones (13 in total)
Number of
conjugated multiple bonds 
13 including two ketones (13 in total)
Isomers 
  • Cis/trans isomer: CA00550, CA00551, CA00552
  • Conformer: CA00502, CA00500, CA00501
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    9.696
    Hydrogen Bond donors
    (Lipinski's definition)
    2
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    4
    LipinskiFailures
    1
    Complexity of molecule
    0.312
    Number of heavy atoms
    44
    TPSA
    (Topological Polar Surface Area) 
    74.600 Å2
    Reaction
  • Substrate: CR00475
    • Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms

    References

    CAS
    111139-33-4
    Links to other DB

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