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Entry
CA00808                                                            
Classification
Carotenoid Name
β-Apo-14'-carotenal;
beta-Apo-14'-carotenal;
All-trans-C-22;
14'-apo-β-Carotenal;
14'-apo-beta-Carotenal
IUPAC name 14'-Apo-beta-caroten-14'-al
Formula
C22H30O
Molecular Weight 
310.46 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
7 including one aldehyde (7 in total)
Number of
conjugated multiple bonds 
7 including one aldehyde (7 in total)
Isomers 
  • Constitutional isomer: CA01220
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    7.029
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    1
    LipinskiFailures
    1
    Complexity of molecule
    0.113
    Number of heavy atoms
    23
    TPSA
    (Topological Polar Surface Area) 
    17.070 Å2
    Reaction
  • Product: CR00049,  CR00065
    • Pathway
  • Pathway: CB000091,  CB000123
    • Major carotenoid information

    Minor carotenoid information

    Source organisms
    Mycobacterium tuberculosis (Ref.557) - Actinobacteria (Actinobacteria - Mycobacteriaceae)
    Cucumis melo Inodorus Group (Ref.392) - Land plant: orange-fleshed muskmelon "honeydew" (Streptophyta - Cucurbitaceae)
    Galleria mellonella (Ref.558) - Insect: greater wax moth (Arthropoda (Insecta) - Pyralidae)
    References
  • Ref.557: Daniel Scherzinger, Erdmann Scheffer, Cornelia Bar, Hansgeorg Ernst and Salim Al-Babili, FEBS J. 2010 Nov;277(22):4662-73. doi: 10.1111/j.1742-4658.2010.07873.x. Epub 2010 Oct 4."The Mycobacterium tuberculosis ORF Rv0654 encodes a carotenoid oxygenase mediating central and excentric cleavage of conventional and aromatic carotenoids" .
  • Ref.392: Fleshman, Matthew K.; Lester, Gene E.; Riedl, Ken M.; Kopec, Rachel E.; Narayanasamy, Sureshbabu; Curley, Robert W.; Schwartz, Steven J.; Harrison, Earl H., Journal of Agricultural and Food Chemistry (2011), 59(9), 4448-4454., "Carotene and Novel Apocarotenoid Concentrations in Orange-Fleshed Cucumis melo Melons: Determinations of β-Carotene Bioaccessibility and Bioavailability".
  • 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
    6985-27-9
    Links to other DB
    KEGG COMPOUND: C06734

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