Carotenoids obi
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Entry
CA00830                                                            
Classification
Carotenoid Name
8'-Apoalloxanthinal
IUPAC name (3R)-3-Hydroxy-7,8-didehydro-8'-apo-beta-caroten-8'-al
Formula
C30H38O2
Molecular Weight 
430.604 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
8 including one aldehyde (8 in total)
Number of
conjugated multiple bonds 
10 including one aldehyde (10 in total)
Isomers 
  • Constitutional isomer: CA00014
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    7.565
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    2
    LipinskiFailures
    1
    Complexity of molecule
    0.086
    Number of heavy atoms
    32
    TPSA
    (Topological Polar Surface Area) 
    37.300 Å2
    Reaction
  • Product: CR00055
    • Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Mytilus coruscus (Ref.317) - Shellfish: bivalve (Mollusca - Mytilidae)
    References
  • Ref.317: Maoka, Takashi, Journal of Natural Products (1997), 60(6), 616-617., "A new apocarotenoid from the marine shellfish Mytilus coruscus".
    • CAS
    190849-79-7
    Links to other DB
    KNApSAcK: C00023113
    MassBank: CA000006

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