Details of Metabolite

General Information of MET (ID: META00913)
Name Chloroacetic acid
Synonyms   Click to Show/Hide Synonyms of This Metabolite
2-Chloro-acetate; 2-Chloro-acetic acid; 2-Chloro-ethanoate; 2-Chloro-ethanoic acid; 2-Chloroacetate; 2-Chloroacetic acid; Acetocaustin; Acide chloracetique; Acide chloroacetique; Acide monochloracetique; Acidomonocloroacetico; CAA; CH2ClCOOH; Chloracetate; Chloracetic acid; Chloroacetate; Chloroacetic; Chloroacetic acid; Chloroacetic acid (80% or less); Chloroacetic acid crystalline; Chloroacetic acid, acs; Chloroacetic acid, aluminum salt; Chloroacetic acid, ammonium (2:1) salt; Chloroacetic acid, ammonium salt; Chloroacetic acid, calcium (3:1) salt; Chloroacetic acid, calcium salt; Chloroacetic acid, liquid; Chloroacetic acid, molten; Chloroacetic acid, potassium (2:1) salt; Chloroacetic acid, potassium salt; Chloroacetic acid, silver salt; Chloroacetic acid, sodium (2:1) salt; Chloroacetic acid, sodium (5:2) salt; Chloroacetic acid, sodium salt; Chloroacetic acid, solid; Chloroacetic acid, solid (dot); Chloroacetic-acid; Chloroethanoate; Chloroethanoic acid; MCA; Monochloorazijnzuur; Monochloracetic acid; Monochloracetic acidacide monochloracetique; Monochloressigsaeure; Monochloroacetate; Monochloroacetic acid; Monochloroethanoate; Monochloroethanoic acid; SODIUM chloroacetATE; Sjphlqdiktp@; a-Chloro-acetate; a-Chloro-acetic acid; alpha-Chloro-acetic acid; alpha-Chloroacetic acid; chloro-Acetic acid
Source Endogenous;Fatty acyls;Food;Carcinogenic Potency;Cosmetic;Food additives
Structure Type   Alpha-halocarboxylic acids and derivatives  (Click to Show/Hide the Complete Structure Type Hierarchy)
Organic acids and derivatives
Carboxylic acids and derivatives
Alpha-halocarboxylic acids and derivatives
PubChem CID
300
HMDB ID
HMDB0031331
Formula
C2H3ClO2
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
C06755
ChEBI ID
27869
FooDB ID
FDB003394
Physicochemical Properties Molecular Weight 94.5 Topological Polar Surface Area 37.3
XlogP 0.2 Complexity 42.9
Heavy Atom Count 5 Rotatable Bond Count 1
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2
Function
Prohibited from use in food Chloroacetic acid is the chemical compound with the formula ClCH2CO2H. This carboxylic acid is a useful building block in organic synthesis. Like other chloroacetic acids and related halocarbons, it is a potentially dangerous alkylating agent
Regulatory Network
Full List of Protein(s) Regulating This Metabolite
      Transcription factor (TF)
            Myc proto-oncogene protein (MYC) 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 Knockdown (siRNA) of MYC
                      Induced Change Chloroacetic acid concentration: decrease
                      Summary Introduced Variation         Induced Change 
                      Disease Status Colorectal cancer [ICD-11: 2B91]
                      Details It is reported that knockdown of MYC leads to the decrease of chloroacetic acid levels compared with control group.
References
1 Global metabolic reprogramming of colorectal cancer occurs at adenoma stage and is induced by MYC. Proc Natl Acad Sci U S A. 2017 Sep 12;114(37):E7697-E7706.

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