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Entry
CA01095                                                            
Classification
Carotenoid Name
Fucoxanthin 3-ester
IUPAC name (3S,5R,6S,3'S,5'R,6'R)-5,6-Epoxy-3'-ethanoyloxy-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,6,7,8,5',6'-hexahydro-beta,beta-caroten-3-ester
Formula
C45H62O7
Molecular Weight 
714.946 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
Number of
conjugated multiple bonds 
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
10.867
Hydrogen Bond donors
(Lipinski's definition)
1
Hydrogen Bond Acceptors
(Lipinski's definition)
7
LipinskiFailures
2
Complexity of molecule
0.272
Number of heavy atoms
52
TPSA
(Topological Polar Surface Area) 
102.430 Å2
Reaction
  • Product: CR00281
    • Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Mactra chinensis (Ref.521) - Shellfish: bivalve, Mactra chinensis Philippi, 1846 (Mollusca - Mactridae;)
    Meretrix petechialis (Ref.522) - Shellfish: bivalve, Meretrix petechialis (Lamarck, 1818) (Mollusca - Veneridae)
    Ruditapes philippinarum (Ref.522) - Shellfish: bivalve, Japanese littleneck, Tapes japonica, Venerupis philippinarum, (Mollusca - Veneridae)
    References
  • Ref.521: Maoka, T.; Fujiwara, Y.; Hashimoto, K.; Akimoto, N. Characterizatoin of fucoxanthin and fucoxanthinol esters in the chinese surf clam, Mactra chinensis. J. Agric. Food Chem. 2007, 55, 1563–1567..
  • Ref.522: Maoka, T.; Akimoto, N.; Murakoshi, M.; Sugiyama, K.; Nishino, H. Carotenoids in clams, Ruditapes philippinarum and Meretrix petechialis. J. Agric. Food Chem. 2010, 58, 5784–5788. .
    • CAS

    Links to other DB

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