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Entry
CA00297                                                            
Classification
Carotenoid Name
Gelliodenone
IUPAC name 3-Hydroxy-3',4'-didehydro-16'-methyl-17'-nor-beta,psi-caroten-4,16'-dione
Formula
C40H50O3
Molecular Weight 
578.8 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
15 including two ketones (15 in total)
Number of
conjugated multiple bonds 
15 including two ketones (15 in total)
Isomers 
  • Constitutional isomer: CA00543, CA00483, CA00636, CA00735, CA00784
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    10.725
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    3
    LipinskiFailures
    2
    Complexity of molecule
    0.065
    Number of heavy atoms
    43
    TPSA
    (Topological Polar Surface Area) 
    54.370 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Gelliodes callista (Ref.253) - Sea sponge (Porifera - Niphatiidae)
    References
  • Ref.253: Tanaka, Yoshito; Inoue, Tsuyoshi, Nippon Suisan Gakkaishi (1987), 53(7), 1271-3., "new aldehydic carotenoid gelliodesxanthin from sea sponge Gelliodes callista".
    • CAS
    111536-18-6
    Links to other DB

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