Details of Metabolite

General Information of MET (ID: META00246)
Name 3-Hydroxysuberic acid
Synonyms   Click to Show/Hide Synonyms of This Metabolite
3-Hydroxy-suberate; 3-Hydroxyoctanedioate; 3-Hydroxyoctanedioic acid; 3-Hydroxysuberate
Source Endogenous;Escherichia Coli Metabolite;Fatty acyls;Food;Microbial
Structure Type   Medium-chain hydroxy acids and derivatives  (Click to Show/Hide the Complete Structure Type Hierarchy)
Organic acids and derivatives
Hydroxy acids and derivatives
Medium-chain hydroxy acids and derivatives
PubChem CID
22328017
HMDB ID
HMDB0000325
Formula
C8H14O5
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=22328017"></iframe>
3D MOL 2D MOL
  Click to Show/Hide the Molecular/Functional Data (External Links/Property/Function) of This Metabolite
ChEBI ID
70766
FooDB ID
FDB021951
ChemSpider ID
13498677
METLIN ID
5314
Physicochemical Properties Molecular Weight 190.19 Topological Polar Surface Area 94.8
XlogP -0.3 Complexity 177
Heavy Atom Count 13 Rotatable Bond Count 7
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 5
Function
3-Hydroxysuberic acid is a metabolite derived from the w-oxidation of 3-hydroxy fatty acids and the subsequent beta-oxidation of longer-chain 3-hydroxy dicarboxylic acids. It has been found increased in ketoaciduria.
Regulatory Network
Full List of Protein(s) Regulating This Metabolite
      Hydrolases (EC 3)
            GTPase KRas (KRAS) 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 KRAS
                      Induced Change 3-Hydroxysuberic acid concentration: increase (FC = 3.71)
                      Summary Introduced Variation         Induced Change 
                      Disease Status Lung cancer [ICD-11: 2C25]
                      Details It is reported that overexpression of KRAS leads to the increase of 3-hydroxysuberic acid levels compared with control group.
References
1 Capturing the metabolomic diversity of KRAS mutants in non-small-cell lung cancer cells. Oncotarget. 2014 Jul 15;5(13):4722-31.

If you find any error in data or bug in web service, please kindly report it to Dr. Zhang and Dr. Mou.