General Information of MET (ID: META00405)
Name m-Chlorohippuric acid
Synonyms   Click to Show/Hide Synonyms of This Metabolite
(3-Chloro-benzoylamino)-acetic acid; (3-Chlorobenzoylamino)acetic acid; 2-{[(3-chlorophenyl)(hydroxy)methylidene]amino}acetate; 3-Chlorohippate; 3-Chlorohippic acid; 3-Chlorohippuric acid; N-(3-Chlorobenzoyl)glycine; m-Chlorohippate; m-Chlorohippic acid; m-Chlorohippurate
Source Endogenous;Food
Structure Type   Benzoic acids and derivatives  (Click to Show/Hide the Complete Structure Type Hierarchy)
Benzenoids
Benzene and substituted derivatives
Benzoic acids and derivatives
PubChem CID
448
HMDB ID
HMDB0001309
Formula
C9H8ClNO3
Structure
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3D MOL 2D MOL
  Click to Show/Hide the Molecular/Functional Data (External Links/Property/Function) of This Metabolite
ChEBI ID
613377
FooDB ID
FDB022545
ChemSpider ID
435
METLIN ID
6149
Physicochemical Properties Molecular Weight 213.62 Topological Polar Surface Area 66.4
XlogP 0.9 Complexity 232
Heavy Atom Count 14 Rotatable Bond Count 3
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3
Function
m-Chlorohippuric acid is an inactive metabolite of Bupropion. The formation of m-chlorobenzoic acid involves side chain cleavage of bupropion to an acidic metabolite in humans.
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 m-Chlorohippuric acid concentration: decrease (FC = 0.38)
                      Summary Introduced Variation         Induced Change 
                      Disease Status Organic acid disorderss [ICD-11: 5C50]
                      Details It is reported that knockout of Cth leads to the decrease of m-chlorohippuric acid 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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