Carotenoids obi
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Carotenoids DB          Carotenoids DB: CA00846   
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Entry
CA00846                                                            
Classification
Carotenoid Name
Apo-10'-zeaxanthinal;
3-Hydroxy-10'-apo-β-carotene-10'-al
IUPAC name 3-Hydroxy-10'-apo-beta-caroten-10'-al
Formula
C27H36O2
Molecular Weight 
392.558 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 
  • Constitutional isomer: CA00795, CA00847
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    6.724
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    2
    LipinskiFailures
    1
    Complexity of molecule
    0.092
    Number of heavy atoms
    29
    TPSA
    (Topological Polar Surface Area) 
    37.300 Å2
    Reaction
  • Substrate: CR00022,  CR00079
  • Product: CR00423
    • Pathway
  • Pathway: CB000135
    • Major carotenoid information

    Minor carotenoid information

    Source organisms
    Mycobacterium tuberculosis (Ref.557) - Actinobacteria (Actinobacteria - Mycobacteriaceae)
    Capsicum annuum L. (Ref.380) - Land plant: green pepper (Streptophyta - Solanaceae)
    Sinton citrangequat  - Land plant: citrus hybrid of a citrange and a kumquat (Streptophyta - Rutaceae)
    References
  • Ref.380: Maoka, Takashi; Fujiwara, Yasuhiro; Hashimoto, Keiji; Akimoto, Naoshige, Journal of Agricultural and Food Chemistry (2001), 49(3), 1601-1606., "Isolation of a Series of Apocarotenoids from the Fruits of the Red Paprika Capsicum annuum L.".
  • 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" .
    • CAS
    62742-01-2
    Links to other DB
    KNApSAcK: C00022185
    MassBank: CA000011

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