Carotenoids obi
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Carotenoids DB          Carotenoids DB: CA01091   
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Entry
CA01091                                                            
Classification
Carotenoid Name
(9Z)-10'-Apo-β-carotenal;
9-cis-10'-Apo-beta-carotenal
IUPAC name (9Z)-10'-Apo-beta-caroten-10'-al
Formula
C27H36O
Molecular Weight 
376.558 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
9 including one aldehyde (9 in total)
Number of
conjugated multiple bonds 
9 including one aldehyde (9 in total)
Isomers 
  • Cis/trans isomer: CA00811
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    8.809
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    1
    LipinskiFailures
    1
    Complexity of molecule
    0.094
    Number of heavy atoms
    28
    TPSA
    (Topological Polar Surface Area) 
    17.070 Å2
    Reaction
  • Substrate: CR00109,  CR00424
  • Product: CR00040,  CR00421
    • Pathway
  • Pathway: CB000079,  CB000085,  CB000129
    • Major carotenoid information

    Minor carotenoid information

    Source organisms

    References

    CAS

    Links to other DB
    KEGG COMPOUND: C20692

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