Details of Metabolite

General Information of MET (ID: META00876)
Name Acamprosate
Synonyms   Click to Show/Hide Synonyms of This Metabolite
3-(Acetylamino)propanesulphonic acid; 3-Acetamido-1-propanesulfonate; 3-Acetamido-1-propanesulfonic acid; 3-Acetamido-1-propanesulphonate; 3-Acetamido-1-propanesulphonic acid; AOTA; Acamprosate calcium; Acamprosato; Acamprosatum; Acamprosic acid; Acamprostate; Acetyl homotaurinate, calcium; Acetylhomotaurinate, calcium; Acetylhomotaurine, calcium; Acetylhomotaurine, sodium; Aotal; Calcium acetyl homotaurinate; Calcium acetylhomotaurinate; Calcium acetylhomotaurine; Campral; Campral ec; N Acetylhomotaurine; N Acetylhomotaurine, monolithium salt; N Acetylhomotaurine, monopotassium salt; N Acetylhomotaurine, monosodium salt; N-Acetylhomotaurine; N-Acetylhomotaurine, calcium (2:1) salt; N-Acetylhomotaurine, magnesium (2:1) salt; N-Acetylhomotaurine, monolithium salt; N-Acetylhomotaurine, monopotassium salt; N-Acetylhomotaurine, monosodium salt; N-Acetylhomotaurine, zinc (2:1) salt; Regtect; Sodium acetylhomotaurine; Zulex
Source Drug;Toxins/Pollutant
Structure Type   Organosulfonic acids and derivatives  (Click to Show/Hide the Complete Structure Type Hierarchy)
Organic acids and derivatives
Organic sulfonic acids and derivatives
Organosulfonic acids and derivatives
PubChem CID
71158
HMDB ID
HMDB0014797
Formula
C5H11NO4S
Structure
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3D MOL 2D MOL
  Click to Show/Hide the Molecular/Functional Data (External Links/Property/Function) of This Metabolite
DrugBank ID
DB00659
ChEBI ID
51041
ChemSpider ID
64300
Physicochemical Properties Molecular Weight 181.21 Topological Polar Surface Area 91.8
XlogP -1.2 Complexity 215
Heavy Atom Count 11 Rotatable Bond Count 4
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4
Function
Acamprosate, also known by the brand name Campral&trade;, is a drug used for treating alcohol dependence. Acamprosate is thought to stabilize the chemical balance in the brain that would otherwise be disrupted by alcoholism, possibly by blocking glutaminergic N-methyl-D-aspartate receptors, while gamma-aminobutyric acid type A receptors are activated. Reports indicate that acamprosate only works with a combination of attending support groups and abstinence from alcohol. Certain serious side effects include allergic reactions, irregular heartbeats, and low or high blood pressure, while less serious side effects include headaches, insomnia, and impotence. Acamprosate should not be taken by people with kidney problems or allergies to the drug.
Regulatory Network
Full List of Protein(s) Regulating This Metabolite
      Pore-forming PNC peptide (PNC)
            Cellular tumor antigen p53 (TP53) 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 TP53
                      Induced Change Acamprosate concentration: increase (Log2 FC=1.1)
                      Summary Introduced Variation         Induced Change 
                      Disease Status Colon cancer [ICD-11: 2B90]
                      Details It is reported that knockout of TP53 leads to the increase of acamprosate levels compared with control group.
References
1 Integrative omics analysis of p53-dependent regulation of metabolism. FEBS Lett. 2018 Feb;592(3):380-393.

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