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CHEBI:28787 - nitroglycerin

ChEBI IDCHEBI:28787
ChEBI Namenitroglycerin
Stars
DefinitionA nitroglycerol that is glycerol in which the hydrogen atoms of all three hydroxy groups are replaced by nitro groups. It acts as a prodrug, releasing nitric oxide to open blood vessels and so alleviate heart pain.
Secondary ChEBI IDsCHEBI:7595, CHEBI:25559
Last Modified24 May 2024
DownloadsMolfile

FormulaC3H5N3O9
Net Charge0
Average Mass227.085
Monoisotopic Mass227.00258
SMILESO=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-]
InChIInChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2
InChIKeySNIOPGDIGTZGOP-UHFFFAOYSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
1,2,3-trinitrooxypropane
Synonyms  Source
NitroglycerinKEGG COMPOUND
Glyceryl trinitrateKEGG COMPOUND
glycerol trinitrateNIST Chemistry WebBook
glycerin trinitrateNIST Chemistry WebBook
NGNIST Chemistry WebBook
1,2,3-propanetriyl nitrateNIST Chemistry WebBook
Brand Names  Source
MinitranDrugBank
Nitro-DurDrugBank
NatisprayDrugBank
NitrolingualDrugBank
NitromistChEBI
RectogesicDrugBank
UniProt Name  Source
nitroglycerinUniProt
Manual XrefsDatabases
C07455KEGG COMPOUND
C07455KEGG COMPOUND
c0061UM-BBD
DB00727DrugBank
D00515KEGG DRUG
NitroglycerinWikipedia
Glyceryl_trinitrate_(pharmacology)Wikipedia
1952DrugCentral
Registry NumbersSources
Gmelin:165859Gmelin
Reaxys:1802063Reaxys
CAS:55-63-0KEGG COMPOUND
CAS:55-63-0ChemIDplus
CAS:55-63-0NIST Chemistry WebBook
Citations