Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR2448)
Drug Name
Nitrosoglutathione
Synonyms
Glutathione thionitrite; Nitrosoglutathione; S-nitrosoglutathione; S-NITROSO-L-GLUTATHIONE; (2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-(nitrososulfanyl)ethyl]carbamoyl}butanoic acid; (S)-2-Amino-5-(((R)-1-((carboxymethyl)amino)-3-(nitrosothio)-1-oxopropan-2-yl)amino)-5-oxopentanoic acid; 57564-91-7; 78RRI89ZTO; BRN 3566211; C10H16N4O7S; CCRIS 2095; CHEBI:50091; Glycine, N-(N-L-gamma-glutamyl-S-nitroso-L-cysteinyl)-; N-(N-L-gamma-Glutamyl-S-nitroso-L-cysteinyl)glycine; SNOG; UNII-78RRI89ZTO; gsno
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 336.32 Topological Polar Surface Area 214
Heavy Atom Count 22 Rotatable Bond Count 10
Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 10
Cross-matching ID
PubChem CID
104858
ChEBI ID
CHEBI:50091
CAS Number
57564-91-7
Formula
C10H16N4O7S
Canonical SMILES
C(CC(=O)NC(CSN=O)C(=O)NCC(=O)O)C(C(=O)O)N
InChI
1S/C10H16N4O7S/c11-5(10(19)20)1-2-7(15)13-6(4-22-14-21)9(18)12-3-8(16)17/h5-6H,1-4,11H2,(H,12,18)(H,13,15)(H,16,17)(H,19,20)/t5-,6-/m0/s1
InChIKey
HYHSBSXUHZOYLX-WDSKDSINSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
GSSG DM004010
65359
Unclear 1 [2] , [3] , [4]
NO DM000320
145068
Unclear 2 [2] , [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004385 Nitrosoglutathione GSSG Unclear GSR [2], [3], [4]
MR004386 Nitrosoglutathione NO Unclear Unclear [2], [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Glutathione reductase (GSR) DME0110 Homo sapiens
GSHR_HUMAN
1.8.1.7
[2] , [3] , [4]
S-(hydroxymethyl)glutathione dehydrogenase (adh) DME1249 Vibrio cholerae
A0A0A7DS01_VIBCL
1.1.1.284
[5]
References
1 Synaptic plasticity impairment and hypofunction of NMDA receptors induced by glutathione deficit: relevance to schizophrenia. Neuroscience. 2006 Feb;137(3):807-19.
2 S-nitrosoglutathione
3 FrxA is an S-nitrosoglutathione reductase enzyme that contributes to Helicobacter?pylori pathogenicity
4 Metabolism of S-nitrosoglutathione in intact mitochondria
5 Nitrosative stress response in Vibrio cholerae: role of S-nitrosoglutathione reductase. Appl Biochem Biotechnol. 2017 Jul;182(3):871-884.

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