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Carotenoids DB          Carotenoids DB: CA01140   
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Entry
CA01140                                                            
Classification
Carotenoid Name
(all-E,3R)-3-Hydroxy-α-retinal
IUPAC name (all-E,3R)-3-Hydroxy-15-apo-epsilon-carotene-15-al
Formula
C20H28O2
Molecular Weight 
300.424g /mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
5 in cluding an aldehyde (5 in total)
Number of
conjugated multiple bonds 
5 in cluding an aldehyde (5 in total)
Isomers 
  • Constitutional isomer: CA01221, CA01045, CA01036, CA01000
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    4.969
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    2
    LipinskiFailures
    0
    Complexity of molecule
    0.120
    Number of heavy atoms
    22
    TPSA
    (Topological Polar Surface Area) 
    37.300 Å2
    Reaction
  • Product: CR00063
    • Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Galleria mellonella (Ref.558) - Insect: greater wax moth (Arthropoda (Insecta) - Pyralidae)
    References
  • Ref.558: Vitus Oberhausera, Olaf Voolstraa, Annette Bangerta, Johannes von Lintigb, and Klaus Vogt, Proc Natl Acad Sci U S A. 2008 Dec 2;105(48):19000-5. doi: 10.1073/pnas.0807805105. Epub 2008 Nov 19., "NinaB combines carotenoid oxygenase and retinoid isomerase activity in a single polypeptide.".
    • CAS

    Links to other DB

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