Details of Metabolite

General Information of MET (ID: META01393)
Name Pantetheine
Synonyms   Click to Show/Hide Synonyms of This Metabolite
(R)-Pantetheine; D-Pantetheine; Lactobacillus bulgaricus factor; LBF; Pantotheine
Source Aliphatic acyclic compounds
Structure Type   Amino acids, peptides, and analogues  (Click to Show/Hide the Complete Structure Type Hierarchy)
Organic acids and derivatives
Carboxylic acids and derivatives
Amino acids, peptides, and analogues
PubChem CID
479
HMDB ID
HMDB0003426
Formula
C11H22N2O4S
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=479"></iframe>
3D MOL 2D MOL
  Click to Show/Hide the Molecular/Functional Data (External Links/Property/Function) of This Metabolite
KEGG ID
C00831
ChEBI ID
16753
FooDB ID
FDB023172
ChemSpider ID
466
METLIN ID
6928
Physicochemical Properties Molecular Weight 278.37 Topological Polar Surface Area 99.7
XlogP -1 Complexity 284
Heavy Atom Count 18 Rotatable Bond Count 8
Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 5
Regulatory Network
Full List of Protein(s) Regulating This Metabolite
      Transferases (EC 2)
            Arylamine N-acetyltransferase 1 (NAT1) 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 NAT1
                      Induced Change Pantetheine concentration: decrease
                      Summary Introduced Variation         Induced Change 
                      Disease Status Breast cancer [ICD-11: 2C60]
                      Details It is reported that knockout of NAT1 leads to the decrease of pantetheine levels compared with control group.
References
1 CRISPR/Cas9 knockout of human arylamine N-acetyltransferase 1 in MDA-MB-231 breast cancer cells suggests a role in cellular metabolism. Sci Rep. 2020 Jun 17;10(1):9804.

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