Details of Metabolite

General Information of MET (ID: META00540)
Name 9-OxoODE
Synonyms   Click to Show/Hide Synonyms of This Metabolite
(10E,12Z)-9-Oxooctadeca-10,12-dienoate; (10E,12Z)-9-Oxooctadeca-10,12-dienoic acid; (10E,12Z)9-OxoODE; (10E,12Z)9-oxo-ODE; 9-KODE; 9-Keto-10E,12Z-octadecadienoate; 9-Keto-10E,12Z-octadecadienoic acid; 9-oxo-10E,12Z-Octadecadienoate; 9-oxo-10E,12Z-Octadecadienoic acid; 9-oxo-ODE
Source Endogenous;Fatty acyls;Food;TCM Ingredients
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
9839084
HMDB ID
HMDB0004669
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
KEGG ID
C14766
ChEBI ID
72842
FooDB ID
FDB023397
ChemSpider ID
8014803
Physicochemical Properties Molecular Weight 294.4 Topological Polar Surface Area 54.4
XlogP 5.2 Complexity 329
Heavy Atom Count 21 Rotatable Bond Count 14
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Function
9-OxoODE results from oxidation of the allylic hydroxyl of either 9(S)- or 9(R)-HODE. Rabbit reticulocyte plasma and mitochondrial membranes contain both 9- and 13-oxoODEs, representing about 2% of the total linoleate residues in the membranes. Most of these oxidized linoleate residues are esterified to membrane lipids.
Regulatory Network
Full List of Protein(s) Regulating This Metabolite
      Lyases (EC 4)
            Cystathionine gamma-lyase (CTH) 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 Knockout of Cth
                      Induced Change 9-OxoODE concentration: increase (FC = 2.09)
                      Summary Introduced Variation         Induced Change 
                      Disease Status Organic acid disorderss [ICD-11: 5C50]
                      Details It is reported that knockout of Cth leads to the increase of 9-OxoODE levels compared with control group.
References
1 Hydrogen Sulfide Is a Regulator of Hemoglobin Oxygen-Carrying Capacity via Controlling 2,3-BPG Production in Erythrocytes. Oxid Med Cell Longev. 2021 Feb 13;2021:8877691.

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