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Entry
CA00868                                                            
Classification
Carotenoid Name
Abscisate;
ABA;
(+)-Abscisic acid;
(+)-Abscisin II
IUPAC name (6S,9Z)-6-Hydroxy-3-oxo-11-apo-epsilon-caroten-11-oic acid
Formula
C15H20O4
Molecular Weight 
264.31 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
  • A plant hormone (Ref.653) Promotes developmental processes such as seed maturation and dormancy (Ref.653). An allelochemical (Ref.655), Inhibitory effects on radicle growth in lettuce and weeds (Ref.655).
    • Number of
    conjugated double bonds 
    3 and 2 including one ketone and one carboxylic acid (5 in total)
    Number of
    conjugated multiple bonds 
    3 and 2 including one ketone and one carboxylic acid (5 in total)
    Isomers 
    InChI

    InChIKey

    Canonical SMILES

    XLogP
    0.878
    Hydrogen Bond donors
    (Lipinski's definition)
    2
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    4
    LipinskiFailures
    0
    Complexity of molecule
    0.154
    Number of heavy atoms
    19
    TPSA
    (Topological Polar Surface Area) 
    74.600 Å2
    Reaction
  • Substrate: CR00178,  CR00297
  • Product: CR00171,  CR00216,  CR00254,  CR00341
    • Pathway
  • Pathway: CB000080,  CB000081
    • Major carotenoid information

    Minor carotenoid information

    Source organisms

    References
  • Ref.653: Mitsunori Seo and Tomokazu Koshiba, Trends in Plant Science, Volume 7, Issue 1, 1 January 2002, Pages 41-48, "Complex regulation of ABA biosynthesis in plants", https://doi.org/10.1016/S1360-1385(01)02187-2.
  • Ref.655: Manoel Albuquerque, Roseane Santos, Liziane Lima, Péricles Melo Filho, Rejane Nogueira, Claudio Câmara, Ramos, Agronomy for Sustainable Development, April 2011, Volume 31, Issue 2, pp 379–395, "Allelopathy, an alternative tool to improve cropping systems. A review", https://doi.org/10.1051/agro/2010031.
    • CAS
    21293-29-8
    Links to other DB
    KEGG COMPOUND: C06082
    MassBank: PR020172

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