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Carotenoids DB          Carotenoids DB: CA00358   
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Entry
CA00358                                                            
Classification
Carotenoid Name
Corbiculaxanthin 3'-acetate
IUPAC name (3S,3'S,4'R,5'R,6'R)-3'-Ethanoyloxy-6',7'-didehydro-3,4,5'-triol
Formula
C42H58O5
Molecular Weight 
642.884 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
10
Number of
conjugated multiple bonds 
10
Isomers 
  • Constitutional isomer: CA00429, CA00999, CA00765
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    11.102
    Hydrogen Bond donors
    (Lipinski's definition)
    3
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    5
    LipinskiFailures
    2
    Complexity of molecule
    0.286
    Number of heavy atoms
    47
    TPSA
    (Topological Polar Surface Area) 
    86.990 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Corbicula clams (Ref.221) - Shellfish: bivalve (Mollusca - Corbiculidae)
    Corbicula japonica (Ref.221) - Shellfish: bivalve (Mollusca - Corbiculidae)
    Corbicula sandai (Ref.221) - Shellfish: bivalve (Mollusca - Corbiculidae)
    References
  • Ref.221: Maoka, Takashi; Fujiwara, Yasuhiro; Hashimoto, Keiji; Akimoto, Naoshige, Journal of Agricultural and Food Chemistry (2005), 53(21), 8357-8364. "Carotenoids in Three Species of Corbicula Clams, Corbicula japonica, Corbicula sandai, and Corbicula sp. (Chinese Freshwater Corbicula Clam)".
    • CAS
    865866-06-4
    Links to other DB
    MassBank: CA000033

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