U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H29N3O6S
Molecular Weight 391.483
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEXYLGLUTATHIONE

SMILES

CCCCCCSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O

InChI

InChIKey=HXJDWCWJDCOHDG-RYUDHWBXSA-N
InChI=1S/C16H29N3O6S/c1-2-3-4-5-8-26-10-12(15(23)18-9-14(21)22)19-13(20)7-6-11(17)16(24)25/h11-12H,2-10,17H2,1H3,(H,18,23)(H,19,20)(H,21,22)(H,24,25)/t11-,12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H29N3O6S
Molecular Weight 391.483
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Interaction of glutathione transferase P1-1 with captan and captafol.
1996 Jul 12
The three-dimensional structure of an avian class-mu glutathione S-transferase, cGSTM1-1 at 1.94 A resolution.
1998 Apr 24
Ligand-induced changes in the structure and dynamics of a human class Mu glutathione S-transferase.
2000 Jun 27
An alternative pathway for metabolism of leukotriene D(4): effects on contractions to cysteinyl-leukotrienes in the guinea-pig trachea.
2001 Aug
Purification and characterization of a glutathione S-transferase Omega in pig: evidence for two distinct organ-specific transcripts.
2001 Aug 15
1.3-A resolution structure of human glutathione S-transferase with S-hexyl glutathione bound reveals possible extended ligandin binding site.
2002 Sep 1
Structure of the major cytosolic glutathione S-transferase from the parasitic nematode Onchocerca volvulus.
2005 Apr 1
Crystallographic and thermodynamic analysis of the binding of S-octylglutathione to the Tyr 7 to Phe mutant of glutathione S-transferase from Schistosoma japonicum.
2005 Feb 1
Plasmodium falciparum glutathione S-transferase--structural and mechanistic studies on ligand binding and enzyme inhibition.
2006 Feb
Structural basis of the suppressed catalytic activity of wild-type human glutathione transferase T1-1 compared to its W234R mutant.
2006 Jan 6
Role of gamma-glutamyl transpeptidase in redox regulation of K+ channel remodeling in postmyocardial infarction rat hearts.
2009 Aug
Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:04:59 GMT 2023
Edited
by admin
on Fri Dec 15 18:04:59 GMT 2023
Record UNII
M73SNN908F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEXYLGLUTATHIONE
Systematic Name English
NSC-131114
Code English
Code System Code Type Description
FDA UNII
M73SNN908F
Created by admin on Fri Dec 15 18:04:59 GMT 2023 , Edited by admin on Fri Dec 15 18:04:59 GMT 2023
PRIMARY
NSC
131114
Created by admin on Fri Dec 15 18:04:59 GMT 2023 , Edited by admin on Fri Dec 15 18:04:59 GMT 2023
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DRUG BANK
DB04132
Created by admin on Fri Dec 15 18:04:59 GMT 2023 , Edited by admin on Fri Dec 15 18:04:59 GMT 2023
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CHEBI
27704
Created by admin on Fri Dec 15 18:04:59 GMT 2023 , Edited by admin on Fri Dec 15 18:04:59 GMT 2023
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EPA CompTox
DTXSID30947297
Created by admin on Fri Dec 15 18:04:59 GMT 2023 , Edited by admin on Fri Dec 15 18:04:59 GMT 2023
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PUBCHEM
97536
Created by admin on Fri Dec 15 18:04:59 GMT 2023 , Edited by admin on Fri Dec 15 18:04:59 GMT 2023
PRIMARY
CAS
24425-56-7
Created by admin on Fri Dec 15 18:04:59 GMT 2023 , Edited by admin on Fri Dec 15 18:04:59 GMT 2023
PRIMARY