Details of Metabolite

General Information of MET (ID: META00417)
Name Dephospho-CoA
Synonyms   Click to Show/Hide Synonyms of This Metabolite
Dephospho-CoA; Dephospho-coenzyme A; Dephosphocoenzyme A', 3'-Dephospho-CoA, 'Dephospho CoA
Source Endogenous;Escherichia Coli Metabolite;Yeast Metabolite;Fatty acyls;Food
Structure Type   Purine ribonucleotides  (Click to Show/Hide the Complete Structure Type Hierarchy)
Nucleosides, nucleotides, and analogues
Purine nucleotides
Purine ribonucleotides
PubChem CID
444485
HMDB ID
HMDB0001373
Formula
C21H35N7O13P2S
Structure
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3D MOL is unavailable 2D MOL
  Click to Show/Hide the Molecular/Functional Data (External Links/Property/Function) of This Metabolite
KEGG ID
C00882
DrugBank ID
DB03170
ChEBI ID
15468
FooDB ID
FDB022585
ChemSpider ID
392407
Physicochemical Properties Molecular Weight 687.6 Topological Polar Surface Area 301
XlogP -4.7 Complexity 1100
Heavy Atom Count 44 Rotatable Bond Count 16
Hydrogen Bond Donor Count 9 Hydrogen Bond Acceptor Count 18
Function
Dephospho-CoA, also known as 3'-dephospho-CoA, belongs to the class of organic compounds known as purine ribonucleoside diphosphates. These are purine ribonucleosides with a diphosphate group linked to the ribose moiety. Thus, dephospho-CoA is considered to be a fatty ester lipid molecule. Dephospho-CoA is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Outside of the human body, dephospho-CoA has been detected, but not quantified in, several different foods, such as wild leeks, summer savouries, arctic blackberries, biscuits, and persimmons. This could make dephospho-CoA a potential biomarker for the consumption of these foods. Dephospho-CoA is an intermediate in pantothenate and CoA biosynthesis. It is a substrate for bifunctional coenzyme A synthase which contains the dephospho-CoA kinase (EC 2.7.1.24). This enzyme catalyzes the final step in CoA biosynthesis: the phosphorylation of the 3'-hydroxyl group of ribose using ATP as a phosphate donor. The reaction is ATP + 3'-dephospho-CoA = ADP + CoA.
Regulatory Network
Full List of Protein(s) Regulating This Metabolite
      Hydrolases (EC 3)
            Sulfatase sulf-1 (SULF1) 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 (shRNA) of SULF1
                      Induced Change Dephospho-CoA concentration: decrease (FC = 0.32 / 0.55)
                      Summary Introduced Variation         Induced Change 
                      Disease Status Ovarian cancer [ICD-11: 2C73]
                      Details It is reported that knockdown of SULF1 leads to the decrease of dephospho-CoA levels compared with control group.
      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 [2]
                      Introduced Variation Knockout of TP53
                      Induced Change Dephospho-CoA concentration: decrease (Log2 FC=0.58)
                      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 dephospho-CoA levels compared with control group.
References
1 Erratum to: Loss of HSulf-1 promotes altered lipid metabolism in ovarian cancer. Cancer Metab. 2014 Nov 4;2:24.
2 Integrative omics analysis of p53-dependent regulation of metabolism. FEBS Lett. 2018 Feb;592(3):380-393.

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