Details of Metabolite

General Information of MET (ID: META01276)
Name s-Hexylglutathione
Synonyms   Click to Show/Hide Synonyms of This Metabolite
s-hexylglutathione; Hexylglutathione; S-Hexyl-glutathione; 24425-56-7; S-Hexyl-L-glutathione; UNII-M73SNN908F; NSC 131114; L-gamma-glutamyl-S-hexyl-L-cysteinylglycine; CHEMBL345292; M73SNN908F; CHEBI:27704; N5-((R)-1-((carboxymethyl)amino)-3-(hexylthio)-1-oxopropan-2-yl)-L-glutamine; S-Hexyl-L-glutathione reduced; 1ydk; GTX; Glycine, N-(N-L-gamma-glutamyl-S-hexyl-L-cysteinyl)-; SCHEMBL1158164; 2c80; ZINC3874923; BDBM50095998; MFCD00056735; AKOS015893910; DB04132; (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-hexylsulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid; C02886; Glycine, L-.gamma.-glutamyl-S-hexyl-L-cysteinyl-
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
97536
Formula
C16H29N3O6S
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=97536"></iframe>
3D MOL is unavailable 2D MOL
  Click to Show/Hide the Molecular/Functional Data (External Links/Property/Function) of This Metabolite
Physicochemical Properties Molecular Weight 391.5 Topological Polar Surface Area 184
XlogP -1.8 Complexity 475
Heavy Atom Count 26 Rotatable Bond Count 15
Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 8
Regulatory Network
Full List of Protein(s) Regulating This Metabolite
      Transcriptional coactivator (TC)
            PPAR-gamma coactivator 1-alpha (PPARGC1A) 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 Ppargc1a
                      Induced Change s-Hexylglutathione concentration: decrease
                      Summary Introduced Variation         Induced Change 
                      Disease Status Congestive heart failure [ICD-11: BD10]
                      Details It is reported that knockout of Ppargc1a leads to the decrease of s-hexylglutathione levels compared with control group.
      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 [2]
                      Introduced Variation Knockout of Nat1
                      Induced Change s-Hexylglutathione concentration: decrease
                      Summary Introduced Variation         Induced Change 
                      Disease Status Metabolic liver disease [ICD-11: 5C90]
                      Details It is reported that knockout of NAT leads to the decrease of s-hexylglutathione levels compared with control group.
            Arylamine N-acetyltransferase 2 (NAT2) 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 Nat2
                      Induced Change s-Hexylglutathione concentration: decrease
                      Summary Introduced Variation         Induced Change 
                      Disease Status Metabolic liver disease [ICD-11: 5C90]
                      Details It is reported that knockout of NAT leads to the decrease of s-hexylglutathione levels compared with control group.
References
1 Heart specific PGC-1 deletion identifies metabolome of cardiac restricted metabolic heart failure. Cardiovasc Res. 2019 Jan 1;115(1):107-118.
2 Deficiency of N-acetyltransferase increases the interactions of isoniazid with endobiotics in mouse liver. Biochem Pharmacol. 2017 Dec 1;145:218-225.

If you find any error in data or bug in web service, please kindly report it to Dr. Zhang and Dr. Mou.