Carotenoids obi
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Carotenoids DB          Carotenoids DB: CA01221   
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Entry
CA01221                                                            
Classification
Carotenoid Name
Acycloretinoic acid
IUPAC name 15-Apo-psi-caroten-15-oic acid
Formula
C20H28O2
Molecular Weight 
300.424 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
6 including one carboxylic acid (6 in total)
Number of
conjugated multiple bonds 
6 including one carboxylic acid (6 in total)
Isomers 
  • Constitutional isomer: CA01045, CA01036, CA01000, CA01140
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    6.180
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    2
    LipinskiFailures
    1
    Complexity of molecule
    0.000
    Number of heavy atoms
    22
    TPSA
    (Topological Polar Surface Area) 
    37.300 Å2
    Reaction
  • Product: CR00442,  CR00443
    • Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Homo sapiens (Ref.696) - Mammal: Human (Chordata - Hominidae)
    References
  • Ref.696: A. Nagao, J Nutr. 2004 Jan;134(1):237S-240S., "Oxidative Conversion of Carotenoids to Retinoids and Other Products", PMID: 14704326 DOI: 10.1093/jn/134.1.237S.
    • CAS

    Links to other DB

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