OXIGLUTATIONE

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Synonyms
Status
Molecule Category Free-form
UNII ULW86O013H
EPA CompTox DTXSID5048972

Structure

InChI Key YPZRWBKMTBYPTK-BJDJZHNGSA-N
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
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H32N6O12S2
Molecular Weight 612.64
AlogP -3.88
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 10.0
Number of Rotational Bond 21.0
Polar Surface Area 317.64
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 40.0

Pharmacology

Mechanism of Action Action Reference
Glutathione reductase OTHER DailyMed Wikipedia Wikipedia

Related Entries

Cross References

Resources Reference
ChEBI 17858
ChEMBL CHEMBL1372
DrugBank DB03310
DrugCentral 5130
FDA SRS ULW86O013H
Guide to Pharmacology 6835
KEGG C00127
PDB GDS
PubChem 65359
SureChEMBL SCHEMBL138746
ZINC ZINC000003870129
CONTENTS