Details of Metabolite

General Information of MET (ID: META00006)
Name Hydroxyoctanoic acid
Synonyms   Click to Show/Hide Synonyms of This Metabolite
2-Hydroxy caprylate; 2-Hydroxycaprylate; 2-Hydroxycaprylic acid; 2-Hydroxyoctanoate; 2-Hydroxyoctanoic acid; DL-2-Hydroxycaprylate; DL-2-Hydroxycaprylic acid; DL-2-Hydroxyoctanoate; DL-2-Hydroxyoctanoic acid; Hydroxyoctanoate; a-Hydroxy-N-caprylate; a-Hydroxy-N-caprylic acid; a-Hydroxycaprylate; a-Hydroxycaprylic acid; a-Hydroxyoctanoate; a-Hydroxyoctanoic acid; alpha-HCA acid; alpha-Hydroxy-N-caprylate; alpha-Hydroxy-N-caprylic acid; alpha-Hydroxycaprylate; alpha-Hydroxycaprylic acid; alpha-Hydroxyoctanoic acid
Source Endogenous;Fatty acyls;Food;Cosmetic
Structure Type   Fatty acids and conjugates  (Click to Show/Hide the Complete Structure Type Hierarchy)
Lipids and lipid-like molecules
Fatty Acyls
Fatty acids and conjugates
PubChem CID
94180
HMDB ID
HMDB0000711
Formula
C8H16O3
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=94180"></iframe>
3D MOL 2D MOL
  Click to Show/Hide the Molecular/Functional Data (External Links/Property/Function) of This Metabolite
ChEBI ID
86543
FooDB ID
FDB022197
ChemSpider ID
84994
METLIN ID
5679
Physicochemical Properties Molecular Weight 160.21 Topological Polar Surface Area 57.5
XlogP 2 Complexity 112
Heavy Atom Count 11 Rotatable Bond Count 6
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3
Function
Hydroxyoctanoic acid medium chain substrate of the 2-hydroxy acid oxidases associated with the 3 distinct human 2-hydroxy acid oxidase genes, HAOX1, HAOX2, and HAOX3.
Regulatory Network
Full List of Protein(s) Regulated by This Metabolite
      GPCR rhodopsin (GPCR-1)
            Hydroxycarboxylic acid receptor 3 (HCAR3) 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 Hydroxyoctanoic acid addition (1 hours)
                      Induced Change HCAR3 protein activity levels: increase
                      Summary Introduced Variation         Induced Change 
                      Disease Status Diabetic acidosis [ICD-11: 5A22]
                      Details It is reported that hydroxyoctanoic acid addition causes the increase of HCAR3 protein activity compared with control group.
      Transferases (EC 2)
            Signal-regulated kinase 1 (ERK1) 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 Hydroxyoctanoic acid addition (0.08 hours)
                      Induced Change MAPK3 protein phosphorylation levels: increase
                      Summary Introduced Variation         Induced Change 
                      Disease Status Diabetic acidosis [ICD-11: 5A22]
                      Details It is reported that hydroxyoctanoic acid addition causes the increase of MAPK3 protein phosphorylation compared with control group.
            Signal-regulated kinase 2 (ERK2) 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 Hydroxyoctanoic acid addition (0.08 hours)
                      Induced Change MAPK1 protein phosphorylation levels: increase
                      Summary Introduced Variation         Induced Change 
                      Disease Status Diabetic acidosis [ICD-11: 5A22]
                      Details It is reported that hydroxyoctanoic acid addition causes the increase of MAPK1 protein phosphorylation compared with control group.
References
1 Deorphanization of GPR109B as a receptor for the beta-oxidation intermediate 3-OH-octanoic acid and its role in the regulation of lipolysis. J Biol Chem. 2009 Aug 14;284(33):21928-21933.

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