Details of Metabolite

General Information of MET (ID: META00806)
Name Phosphoadenosine phosphosulfate
Synonyms   Click to Show/Hide Synonyms of This Metabolite
3'-Phosphoadenosine 5'-phosphosulfate, 3'-Phosphoadenylyl sulfate, 'PAPS', 3'-Phospho-5'-adenylyl sulfate, 3'-Phosphoadenosine 5'-phosphosulfuric acid, 3'-Phosphoadenosine 5'-phosphosulphate, 3'-Phosphoadenosine 5'-phosphosulphuric acid, 3'-Phosphoadenylyl sulfuric acid, 3'-Phosphoadenylyl sulphate, 3'-Phosphoadenylyl sulphuric acid, 3'-Phospho-5'-adenylyl sulfuric acid, 3'-Phospho-5'-adenylyl sulphate, 3'-Phospho-5'-adenylyl sulphuric acid, 'Phosphoadenosine phosphosulfuric acid; Phosphoadenosine phosphosulphate; Phosphoadenosine phosphosulphuric acid', 3'-Phosphoadenosine-5'-phosphosulfate, 3'-Phosphoadenosine-5'-phosphosulphate, 3'-Phosphoadenylyl-sulfate, 3'-Phosphoadenylyl-sulphate, '5-Phosphoadenosine 3-phosphosulfate
Source Endogenous;Escherichia Coli Metabolite;Food;Microbial
Structure Type   Purine ribonucleotides  (Click to Show/Hide the Complete Structure Type Hierarchy)
Nucleosides, nucleotides, and analogues
Purine nucleotides
Purine ribonucleotides
PubChem CID
10214
HMDB ID
HMDB0001134
Formula
C10H15N5O13P2S
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
C00053
DrugBank ID
DB02902
ChEBI ID
17980
FooDB ID
FDB022445
ChemSpider ID
9799
METLIN ID
6028
Physicochemical Properties Molecular Weight 507.27 Topological Polar Surface Area 284
XlogP -5 Complexity 852
Heavy Atom Count 31 Rotatable Bond Count 8
Hydrogen Bond Donor Count 6 Hydrogen Bond Acceptor Count 17
Function
3'-Phosphoadenosine-5'-phosphosulfate. Key intermediate in the formation by living cells of sulfate esters of phenols, alcohols, steroids, sulfated polysaccharides, and simple esters, such as choline sulfate. It is formed from sulfate ion and ATP in a two-step process. This compound also is an important step in the process of sulfur fixation in plants and microorganisms.
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 Phosphoadenosine phosphosulfate concentration: decrease (Log2 FC=0.98)
                      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 phosphoadenosine phosphosulfate 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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