Details of Metabolite

General Information of MET (ID: META01173)
Name 9-HOTrE
Synonyms   Click to Show/Hide Synonyms of This Metabolite
9-HOTrE; (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoic acid; 9-hydroxy-10E,12Z,15Z-octadecatrienoic acid; SCHEMBL2282257; CHEBI:72625; Q27140028
Structure Type   Lineolic acids and derivatives  (Click to Show/Hide the Complete Structure Type Hierarchy)
Lipids and lipid-like molecules
Fatty Acyls
Lineolic acids and derivatives
PubChem CID
10447175
Formula
C18H30O3
Structure
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3D MOL 2D MOL
  Click to Show/Hide the Molecular/Functional Data (External Links/Property/Function) of This Metabolite
Physicochemical Properties Molecular Weight 294.4 Topological Polar Surface Area 57.5
XlogP 4.7 Complexity 329
Heavy Atom Count 21 Rotatable Bond Count 13
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3
Regulatory Network
Full List of Protein(s) Regulating This Metabolite
      Transcription factor (TF)
            R2R3-MYB (AN2) Click to Show/Hide the Full List of Regulating Pair(s):   1 Pair(s)
               Detailed Information Protein   Info click to show the details of this protein
               Regulating Pair Experim Info click to show the details of experiment for validating this pair [1]
                      Introduced Variation Overexpression of AN2
                      Induced Change 9-HOTrE concentration: increase
                      Summary Introduced Variation         Induced Change 
                      Disease Status Healthy individual
                      Details It is reported that overexpression of AN2 leads to the increase of 9-HOTrE levels compared with control group.
References
1 Comprehensive Influences of Overexpression of a MYB Transcriptor Regulating Anthocyanin Biosynthesis on Transcriptome and Metabolome of Tobacco Leaves. Int J Mol Sci. 2019 Oct 16;20(20):5123.

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