Details of Metabolite

General Information of MET (ID: META01265)
Name 13(S)-HpOTrE (gamma)
Synonyms   Click to Show/Hide Synonyms of This Metabolite
13(S)-HpOTrE(gamma); 121107-97-9; 13-HpOTrE(r); Q63409572; 13(S)-Hydroperoxy-6Z,9Z,11E-octadecatrienoic acid; 6,9,11-Octadecatrienoicacid, 13-hydroperoxy-, (6Z,9Z,11E,13S)-; 1182AH; ZINC64858276; SR-01000946957; SR-01000946957-1
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
73242172
Formula
C18H30O4
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 310.4 Topological Polar Surface Area 66.8
XlogP 4.7 Complexity 345
Heavy Atom Count 22 Rotatable Bond Count 14
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4
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 13(S)-HpOTrE (gamma) concentration: increase
                      Summary Introduced Variation         Induced Change 
                      Disease Status Healthy individual
                      Details It is reported that overexpression of AN2 leads to the increase of 13(S)-HpOTrE (gamma) 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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