Details of Metabolite

General Information of MET (ID: META00828)
Name Phthalic acid
Synonyms   Click to Show/Hide Synonyms of This Metabolite
1,2-Benzenedicarboxylate; 1,2-Benzenedicarboxylic acid; Alizarinate; Alizarinic acid; M 2; Naphthalinate; Naphthalinic acid; O-Benzenedicarboxylate; O-Benzenedicarboxylic acid; O-Carboxybenzoate; O-Carboxybenzoic acid; O-Dicarboxybenzene; O-Phthalate; O-Phthalic acid; Ortho-phthalate; Ortho-phthalic acid; Phthalate; Phthalic acid; Phthalic acid, copper salt; Phthalic acid, dipotassium salt; Phthalic acid, disodium salt; Phthalic acid, monobarium salt; Phthalic acid, monocalcium salt; Phthalic acid, monoiron (2+) salt; Phthalic acid, monolead (2+) salt; Phthalic acid, monopotassium salt; Phthalic acid, monoruthenium salt; Phthalic acid, monosodium salt; Phthalic acid, potassium salt; Phthalic acid, potassium, sodium salt; Phthalic acid, sodium salt; Phthalinate; Phthalinic acid; Potassium hydrogen phthalate; Sunftal 20
Source Food;Drug;TCM Ingredients
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
1017
HMDB ID
HMDB0002107
Formula
C8H6O4
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
C01606
DrugBank ID
DB02746
ChEBI ID
29069
FooDB ID
FDB010566
ChemSpider ID
992
METLIN ID
6489
Physicochemical Properties Molecular Weight 166.13 Topological Polar Surface Area 74.6
XlogP 0.7 Complexity 177
Heavy Atom Count 12 Rotatable Bond Count 2
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4
Function
Phthalic acid is an aromatic dicarboxylic acid, with formula C6H4(COOH)2. Phthalic acid is used mainly in the form of the anhydride to produce other chemicals such as dyes, perfumes, saccharin, phthalates and many other useful products. Phthalic acid, when found in tissues or biofluids arises from exposure to these phthalate products. Phthalate is an environmental chemical of heightened public concern because reports of its potential risk to male reproductive health , being significantly associated with reduced sperm concentration to pesticide concentration in men's urine. Within the reproductive tract, the male is exquisitely vulnerable to the effects of anti-androgens during development due the reliance on the synthesis and action of androgens for the masculinization of the male reproductive tract. The ability of phthalates to suppress androgen synthesis during development and to induce testicular dysgenesis together with cryptorchidism and hypospadias has raised considerable concern.
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 Phthalic acid concentration: decrease (Log2 FC=0.81)
                      Summary Introduced Variation         Induced Change 
                      Disease Status Colon cancer [ICD-11: 2B90]
                      Details It is reported that knockout of TP53 leads to the decrease of phthalic acid levels compared with control group.
      Transcription factor (TF)
            R2R3-MYB (AN2) 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 [2]
                      Introduced Variation Overexpression of AN2
                      Induced Change Phthalic acid concentration: decrease (FC = 0.47)
                      Summary Introduced Variation         Induced Change 
                      Disease Status Healthy individual
                      Details It is reported that overexpression of AN2 leads to the decrease of phthalic acid levels compared with control group.
References
1 Integrative omics analysis of p53-dependent regulation of metabolism. FEBS Lett. 2018 Feb;592(3):380-393.
2 Comprehensive Influences of Overexpression of a MYB Transcriptor Regulating Anthocyanin Biosynthesis on Transcriptome and Metabolome of Tobacco Leaves. Int J Mol Sci. 2019 Oct 16;20(20):5123.

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