OXIGLUTATIONE


Synonyms	Glutathione disulfide Oxiglutatione
Status
Molecule Category	UNKNOWN
UNII	ULW86O013H
EPA CompTox	DTXSID5048972


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

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

Bioactivity

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


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).