Details of Metabolite

General Information of MET (ID: META01227)
Name 1,18-Octadecanediol
Synonyms   Click to Show/Hide Synonyms of This Metabolite
1,18-Octadecanediol; octadecane-1,18-diol; 3155-43-9; 1,18- Octadecandiol; 1,18-octadecane-diol; SCHEMBL93355; DTXSID30334385; MFCD17168570; ZINC14616257; AKOS016009469; DS-5488; LS41967; AK112318; W1880
Structure Type   Fatty alcohols  (Click to Show/Hide the Complete Structure Type Hierarchy)
Lipids and lipid-like molecules
Fatty Acyls
Fatty alcohols
PubChem CID
520529
Formula
C18H38O2
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=520529"></iframe>
3D MOL is unavailable 2D MOL
  Click to Show/Hide the Molecular/Functional Data (External Links/Property/Function) of This Metabolite
Physicochemical Properties Molecular Weight 286.5 Topological Polar Surface Area 40.5
XlogP 6.8 Complexity 142
Heavy Atom Count 20 Rotatable Bond Count 17
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 2
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 1,18-Octadecanediol concentration: increase
                      Summary Introduced Variation         Induced Change 
                      Disease Status Healthy individual
                      Details It is reported that overexpression of AN2 leads to the increase of 1,18-octadecanediol 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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