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

General Information of Drug (ID: DR2513)
Drug Name
Glyceryl trinitrate
Synonyms
Gilustenon; Glycerol trinitrate; Glyceryl trinitrate; Lenitral; Minitran; Natispray; Nitro-Bid; Nitro-dur; Nitrocine; Nitroderm; Cordipatch; Corditrine; Epinitril; Nitroderm TTS; Nitroglicerina; Nitroglycerine; Nitroglycerol; Nitroglyn; Nitrolan; Nitrolingual; Nitronet; Nitrong; Nitroplast; Nitrorectal; Nitroretard; Nitrospan; Nitrostat; Perglottal; Perlinganit; Rectogesic; Susadrin; Sustonit; Transderm Nitro; Transderm-nitro; Tridil; Trinitrin; Trinitroglycerin; Trinitroglycerol; Trinitrolong; Trinitrosan; nitroglycerin; 55-63-0; Niong
Indication Acute coronary syndrome [ICD11: BA4Z] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 227.09 Topological Polar Surface Area 165
Heavy Atom Count 15 Rotatable Bond Count 5
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 9
Cross-matching ID
PubChem CID
4510
ChEBI ID
CHEBI:28787
CAS Number
55-63-0
Formula
C3H5N3O9
Canonical SMILES
C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]
InChI
1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2
InChIKey
SNIOPGDIGTZGOP-UHFFFAOYSA-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
1,2-glyceryl dinitrate DM006702 N. A. Reduction - Reduction 1 [3]
1,3-glyceryl dinitrate DM006703 N. A. Reduction - Reduction 1 [3]
Nitrite DM006704
946
Unclear 1 [4]
Nitrite DM006704
946
Reduction - Reduction 1 [3]
Unclear DM009999 N. A. Unclear 1 [2]
NO DM000320
145068
Unclear 2 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007231 Glyceryl trinitrate Nitrite Reduction - Reduction Unclear [3]
MR007233 Glyceryl trinitrate 1,2-glyceryl dinitrate Reduction - Reduction Unclear [3]
MR007234 Glyceryl trinitrate 1,3-glyceryl dinitrate Reduction - Reduction Unclear [3]
MR007235 Glyceryl trinitrate Unclear Unclear MGST1 [2]
MR007232 Nitrite NO Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Microsomal glutathione S-transferase 1 (MGST1) DME0621 Homo sapiens
MGST1_HUMAN
2.5.1.18
[2]
References
1 ClinicalTrials.gov (NCT03251599) The Effect of Nitroglycerin Infusion Rate on Cerebral Rewarming During Hypothermic Coronary Artery Bypass Grafting
2 Microsomal glutathione transferase 1: mechanism and functional roles. Drug Metab Rev. 2011 May;43(2):300-6.
3 LABEL:NITROGLYCERIN aerosol, metered
4 Nitroglycerin metabolism in vascular tissue: role of glutathione S-transferases and relationship between NO. and NO2- formation

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.