Identification Name Glutathione disulfide Accession Number DB03310 (EXPT01575, DB09544) Type Small Molecule Groups Experimental Description A GLUTATHIONE dimer formed by a disulfide bond between the cysteine sulfhydryl side chains during the course of being oxidized.
Structure Synonyms Glutathione disulphide GSSG Oxidized glutathione Oxiglutatione
External IDs Not Available Product Ingredients Not Available Approved Prescription Products Not Available Approved Generic Prescription Products Not Available Approved Over the Counter Products Not Available Unapproved/Other Products Not Available International Brands Not Available Brand mixtures Categories Not Available UNII ULW86O013H CAS number 27025-41-8 Weight Average: 612.631 Chemical Formula C20 H32 N6 O12 S2 InChI Key YPZRWBKMTBYPTK-BJDJZHNGSA-N InChI InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/t9-,10-,11-,12-/m0/s1
IUPAC Name (2S)-2-amino-4-{[(1R)-2-{[(2R)-2-[(4S)-4-amino-4-carboxybutanamido]-2-[(carboxymethyl)carbamoyl]ethyl]disulfanyl}-1-[(carboxymethyl)carbamoyl]ethyl]carbamoyl}butanoic acid
SMILES N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O
Pharmacology Indication Not Available Structured Indications Not Available Pharmacodynamics Not Available Mechanism of action Target Kind Pharmacological action Actions Organism UniProt ID Glutathione S-transferase Mu 2 Protein unknown Not Available Human P28161 details Glutathione reductase, mitochondrial Protein unknown Not Available Human P00390 details
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Absorption Not Available Volume of distribution Not Available Protein binding Not Available Metabolism Not Available Route of elimination Not Available Half life Not Available Clearance Not Available Toxicity Not Available Affected organisms Not Available Pathways Not Available Pharmacogenomic Effects/ADRs Not Available Interactions Drug Interactions Not Available Food Interactions Not Available References Synthesis Reference Not Available General References Not Available External Links ATC Codes Not Available AHFS Codes Not Available PDB Entries FDA label Not Available MSDS Not Available Clinical Trials Clinical Trials Not Available Pharmacoeconomics Manufacturers Not Available Packagers Not Available Dosage forms Form Route Strength Powder, for solution Intraocular Kit; solution Intraocular Kit; solution Intraocular; Irrigation
Prices Not Available Patents Patent Number Pediatric Extension Approved Expires (estimated) US7084130 No 2001-11-29 2021-11-29 US
Properties State Solid Experimental Properties Not Available Predicted Properties Predicted ADMET features Property Value Probability Human Intestinal Absorption - 0.5623 Blood Brain Barrier + 0.7907 Caco-2 permeable - 0.7824 P-glycoprotein substrate Substrate 0.5058 P-glycoprotein inhibitor I Non-inhibitor 0.9122 P-glycoprotein inhibitor II Non-inhibitor 0.9969 Renal organic cation transporter Non-inhibitor 0.9418 CYP450 2C9 substrate Non-substrate 0.9095 CYP450 2D6 substrate Non-substrate 0.8077 CYP450 3A4 substrate Non-substrate 0.7521 CYP450 1A2 substrate Non-inhibitor 0.9373 CYP450 2C9 inhibitor Non-inhibitor 0.8857 CYP450 2D6 inhibitor Non-inhibitor 0.9399 CYP450 2C19 inhibitor Non-inhibitor 0.8615 CYP450 3A4 inhibitor Non-inhibitor 0.8874 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9907 Ames test AMES toxic 0.6369 Carcinogenicity Non-carcinogens 0.8726 Biodegradation Ready biodegradable 0.5845 Rat acute toxicity 2.0571 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9765 hERG inhibition (predictor II) Non-inhibitor 0.9422
ADMET data is predicted using
admetSAR , a free tool for evaluating chemical ADMET properties. (
23092397 )
Spectra Mass Spec (NIST) Not Available Spectra Spectrum Type Description Splash Key LC-MS/MS LC-MS/MS Spectrum - LC-ESI-ITFT , negative splash10-0uki-0290000000-04456f914411a2ecbe4f View in MoNA LC-MS/MS LC-MS/MS Spectrum - LC-ESI-ITFT , negative splash10-0a4i-0039210000-772eee67ad10a2d98fa7 View in MoNA LC-MS/MS LC-MS/MS Spectrum - LC-ESI-QTOF , negative splash10-08fr-1957008000-f8812fd72d475ecd2693 View in MoNA LC-MS/MS LC-MS/MS Spectrum - LC-ESI-QQ , positive splash10-03di-0000109000-65d563bcfc551b4a7abd View in MoNA LC-MS/MS LC-MS/MS Spectrum - LC-ESI-QQ , positive splash10-03di-0003309000-7555effd0b74737b9d2f View in MoNA LC-MS/MS LC-MS/MS Spectrum - LC-ESI-QQ , positive splash10-0a4i-0259201000-2cd328143ce713c285d9 View in MoNA LC-MS/MS LC-MS/MS Spectrum - LC-ESI-QQ , positive splash10-05d0-0493000000-93bd088394049a484b9d View in MoNA LC-MS/MS LC-MS/MS Spectrum - LC-ESI-QQ , positive splash10-001r-0190000000-88b871b5a3f668f4b3a1 View in MoNA LC-MS/MS LC-MS/MS Spectrum - LC-ESI-IT , positive splash10-0a59-0019811000-b24651cf6fc55de750b8 View in MoNA LC-MS/MS LC-MS/MS Spectrum - LC-APPI-QQ , positive splash10-053s-0495300000-69ab8e397b7a546ecd3f View in MoNA LC-MS/MS LC-MS/MS Spectrum - LC-APPI-QQ , positive splash10-053r-0007920000-39da34018ceb610daa32 View in MoNA LC-MS/MS LC-MS/MS Spectrum - LC-ESI-QTOF , positive splash10-03di-0000009000-9cde769e8905f413f7e3 View in MoNA LC-MS/MS LC-MS/MS Spectrum - LC-ESI-QTOF , positive splash10-03di-0000009000-4e3c9569882ab5507bf2 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Positive splash10-0292-1000291000-9683d81eec1eab3f9883 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Positive splash10-01u0-8214980000-1738ea6e3b4537936eee View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Positive splash10-057i-9534520000-7ef32e723a98599c32d7 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Negative splash10-03di-0147096000-e516803ef5124daee1a7 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Negative splash10-0a4l-2497151000-ef5ab8f9bbe20555f37c View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Negative splash10-006y-9411230000-cc41719d1e717d214643 View in MoNA 1D NMR 1H NMR Spectrum Not Available
Taxonomy Description This compound belongs to the class of organic compounds known as gamma-glutamyl peptides. These are oligo- and polypeptides consisting of any C-terminal alpha peptide having a gamma-glutamyl residue attached at the N alpha-position. Kingdom Organic compounds Super Class Organic acids and derivatives Class Carboxylic acids and derivatives Sub Class Amino acids, peptides, and analogues Direct Parent Gamma-glutamyl peptides Alternative Parents Tetracarboxylic acids and derivatives / N-acyl-aliphatic-alpha amino acids / Alpha amino acid amides / L-alpha-amino acids / Amino fatty acids / N-acyl amines / Secondary carboxylic acid amides / Dialkyldisulfides / Sulfenyl compounds / Carboxylic acids / Monoalkylamines / Hydrocarbon derivatives / Carbonyl compounds show 3 moreSubstituents Gamma-glutamyl alpha peptide / N-acyl-aliphatic-alpha amino acid / Tetracarboxylic acid or derivatives / N-acyl-alpha amino acid or derivatives / N-acyl-alpha-amino acid / Alpha-amino acid amide / L-alpha-amino acid / Alpha-amino acid or derivatives / N-substituted-alpha-amino acid / Alpha-amino acid / Amino fatty acid / Fatty acyl / N-acyl-amine / Fatty amide / Dialkyldisulfide / Secondary carboxylic acid amide / Organic disulfide / Carboxamide group / Sulfenyl compound / Carboxylic acid / Carboxylic acid amide / Hydrocarbon derivative / Primary amine / Organosulfur compound / Organooxygen compound / Organonitrogen compound / Primary aliphatic amine / Carbonyl group / Amine / Aliphatic acyclic compound show 20 moreMolecular Framework Aliphatic acyclic compounds External Descriptors organic disulfide, glutathione derivative (CHEBI:17858 ) 
