Carotenoids obi
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Carotenoids DB          Carotenoids DB: CA00166   
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Entry
CA00166                                                            
Classification
Carotenoid Name
R.g.Keto-I
IUPAC name 1-Methoxy-1,2-dihydro-psi,psi-caroten-4-one
Formula
C41H58O2
Molecular Weight 
582.874 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
12 including one ketone (12 in total)
Number of
conjugated multiple bonds 
12 including one ketone (12 in total)
Isomers 
  • Constitutional isomer: CA00090, CA00156, CA00165, CA00265, CA00376
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    12.446
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    2
    LipinskiFailures
    2
    Complexity of molecule
    0.000
    Number of heavy atoms
    43
    TPSA
    (Topological Polar Surface Area) 
    26.300 Å2
    Reaction
  • Substrate: CR00338,  CR00369
  • Product: CR00339
    • Pathway
  • Pathway: CB000046,  CB000054
    • Major carotenoid information

    Minor carotenoid information

    Source organisms
    Rhodopseudomonas globiformis (Ref.341) - Alphaproteobacteria: phototrophic purple non-sulfur bacteria (Alphaproteobacteria - Acetobacteraceae)
    References
  • Ref.341: Schmidt, Karin; Liaaen-Jensen, Synnove, Acta Chemica Scandinavica (1947-1973) (1973), 27(8), 3040-52., "Bacterial carotenoids. XLII. New keto carotenoids from Rhodopseudomonas globiformis (Rhodospirillaceae)".
    • CAS
    38748-34-4
    Links to other DB
    KEGG COMPOUND: C16277
    KNApSAcK: C00022999

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