UCSF

ZINC03830891

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 20 No

Popular Name: Glutathione Glutathione

Find On: PubMed — Wikipedia — Google

CAS Numbers: 121-24-4 , 27025-41-8 , 34212-83-4 , 70-18-8 , 76946-74-2 , [70-18-8]

Other Names:

"L-Glutathione, 99% [for analysis, reduced]"

(2S)-2-amino-4-{[(1R)-1-(carboxymethylcarbamoyl)-2-sulfanylethyl]carbamoyl}butanoic acid

(gamma-Glutamylcysteine)n-glycine; C02471; Poly(gamma-glutamylcysteine)glycine; [Glu(-Cys)]n-Gly

(S)-2-Amino-5-(((R)-1-((carboxymethyl)amino)-3-mercapto-1-oxopropan-2-yl)amino)-5-oxopentanoic acid

2-amino-4-({1-[(carboxymethyl)carbamoyl]-2-sulfanylethyl}carbamoyl)butanoic acid

34212-83-4; D08025; Glutathione sodium salt; Tad (TN)

5-L-Glutamyl-L-cysteinylglycine

5-L-Glutamyl-L-cysteinylglycine; Agifutol S; Bakezyme RX; Copren; Deltathione; gamma-Glutamylcysteinylglycine; gamma-L-glutamyl-L-cysteinyl-glycine; gamma-L-Glutamyl-L-cysteinylglycine; Glutathion; Glutathione; Glutathione red; Glutathione reduced; Glutat

5-L-Glutamyl-L-cysteinylglycine; Agifutol S; Bakezyme RX; Copren; Deltathione; GSH; Glutathion; Glutathione; Glutathione red; Glutathione reduced; Glutathione-SH; Glutatiol; Glutatione; Glutide; Glutinal; Isethion; L-Glutamyl-L-cysteinylglycine; L-Glutath

5-L-Glutamyl-L-cysteinylglycine; Copren; Deltathione; GSH; Glutathion; Glutathione; Glutathione (reduced); Glutathione SH; Glutathione-SH; Glutatiol; Glutatione; Glutide; Glutinal; Glycine, L-gamma-glutamyl-L-cysteinyl-; Glycine, N-(N-L-gamma-glutamyl-L-c

5-L-Glutamyl-L-cysteinylglycine;Agifutol S;Bakezyme RX;Copren;Deltathione;gamma-Glutamylcysteinylglycine;gamma-L-Glutamyl-L-cysteinyl-glycine;gamma-L-Glutamyl-L-cysteinylglycine;Glutathion;Glutathione;Glutathione red;Glutathione reduced;Glutathione-SH;Glu

5-L-Glutamyl-L-cysteinylglycine;Agifutol S;Bakezyme RX;Copren;Deltathione;GSH;Glutathion;Glutathione;Glutathione red;Glutathione reduced;Glutathione-SH;Glutatiol;Glutatione;Glutide;Glutinal;Isethion;L-Glutamyl-L-cysteinylglycine;L-Glutathione;L-Glutathion

70-18-8; D00014; Glutathione (JP16); Glutathione (reduced type); Tathion (TN)

70-18-8; GSH; gamma-L-glutamyl-L-cysteinyl-glycine; glutathione; glutathione red; reduced glutathione

?-L-Glutamyl-L-cysteinylglycine

CCRIS 2094; Copren; Deltathione; EINECS 200-725-4; GSH; Glutathion; Glutathione; Glutathione (reduced); Glutathione SH; Glutathione [JAN]; Glutathione-SH; Glutatiol; Glutatione; Glutide; Glutinal; Glycine, L-gamma-glutamyl-L-cysteinyl-; Glycine, N-(N-L-ga

CHEBI:42873; CHEBI:43049; CHEBI:12402; CHEBI:5437; CHEBI:14327; CHEBI:24334

Copren

gamma-glutamylcysteinylglycine

gamma-L-Glutamyl-L-cysteinyl-glycine

gamma-L-Glutamyl-L-cysteinylglycine

glutathionate(1-)

glutathionate; glutathionate anion; glutathionate ion; glutathione

Glutathione (JAN)

Glutathione (Reduced)

Glutathione (reduced), sodium salt

Glutathione reduced

Glutathione reduced form

Glutathione, 98%, for analysis, reduced

Glutathione-SH

Gluthathione

GSH

Isethion

L-Glutathione

L-Glutathione Disulfide

L-GLUTATHIONE REDUCED

L-Glutathione reduced form

L-Glutathione, reduced

L-Glutathione, reduced, 97%

L-Glutathione;GSH;Glutathione

Ledac

MFCD00002631

MFCD00065939

MFCD00148895

N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine

Neuthion

Reduced Glutathione

Tathion

^y-L-Glutamyl-L-cysteinylglycine

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -4.97 -0.38 -79.69 5 9 -1 166 306.32 9 ↓
Hi High (pH 8-9.5) -4.97 -0.7 -93.89 4 9 -2 164 305.312 9 ↓
Hi High (pH 8-9.5) 2.30 6.24 -93.26 7 7 2 113 440.498 4 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 182 - 192 Acros Organics
MP 192 - 195 Enamine Building Blocks
MP 192-195° Oakwood Chemical
MP 192...195 Enamine Building Blocks
ALOGPS_SOLUBILITY 8.79e-01 g/l DrugBank-nutriceuticals
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
UniProt Database Links AB10C_ARATH; AB11C_ARATH; AB12C_ARATH; AB13C_ARATH; AB14C_ARATH; AB15C_ARATH; AB1C_ARATH; AB25B_ARATH; AB2C_ARATH; AB3C_ARATH; AB4C_ARATH; AB5C_ARATH; AB6C_ARATH; AB7C_ARATH; AB8C_ARATH; AB9C_ARATH; ABC2_SCHPO; ABC4_SCHPO; ABCCB_HUMAN; ACR_MYCTU; ADHH_GAD ChEBI
Therapy antioxidant SMDC Pharmakon
Melting_Point ca 193? dec. Alfa-Aesar
Melting_Point ca 193° dec. Alfa-Aesar
Patent Database Links EP0806140; EP0869126; EP0958818; EP1043322; EP1055427; EP1070710; EP1157987; EP1172432; EP1524270; EP1532976; EP1552838; EP1555318; EP1559431; EP1574521; EP1588703; EP1595936; EP1609461; EP1616564; EP1642904; EP1649856; EP1655292; EP1681053; EP1705184; EP ChEBI
Reactome Database Links REACT_11095; REACT_121323; REACT_1461; REACT_1466; REACT_150133; REACT_150171; REACT_150230; REACT_150273; REACT_150334; REACT_150391; REACT_150407; REACT_15413; REACT_172582; REACT_172584; REACT_172585; REACT_172730; REACT_172757; REACT_2037; REACT_2220 ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GSTK1-1-E Glutathione S-transferase Kappa 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 20 0.54 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GSTK1_HUMAN Q9Y2Q3 Glutathione S-transferase Kappa 1, Human 20 0.54 Binding ≤ 1μM
GSTK1_HUMAN Q9Y2Q3 Glutathione S-transferase Kappa 1, Human 20 0.54 Binding ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description Species
Aflatoxin activation and detoxification
Detoxification of Reactive Oxygen Species
Glutathione conjugation
Glutathione synthesis and recycling
Phagosomal maturation (early endosomal stage)
Phenylalanine and tyrosine catabolism
Purine catabolism
Sulfide oxidation to sulfate
Synthesis and interconversion of nucleotide di- and triphosphates
Synthesis of 12-eicosatetraenoic acid derivatives
Synthesis of 15-eicosatetraenoic acid derivatives
Synthesis of 5-eicosatetraenoic acids
Synthesis of Leukotrienes (LT) and Eoxins (EX)
Synthesis of Prostaglandins (PG) and Thromboxanes (TX)
Vitamin C (ascorbate) metabolism

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.