EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:19720 - 2-mononitroglycerol

ChEBI IDCHEBI:19720
ChEBI Name2-mononitroglycerol
Stars
DefinitionA mononitroglycerol that is glycerol in which the hydrogen atom of the hydroxy group at position 2 is replaced by a nitro group.
Last Modified27 May 2024
DownloadsMolfile
FormulaC3H7NO5
Net Charge0
Average Mass137.091
Monoisotopic Mass137.03242
SMILESO=[N+]([O-])OC(CO)CO
InChIInChI=1S/C3H7NO5/c5-1-3(2-6)9-4(7)8/h3,5-6H,1-2H2
InChIKeyQYZBMMOLPVKAPU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-mononitroglycerol (CHEBI:19720) is a diol (CHEBI:23824)
2-mononitroglycerol (CHEBI:19720) is a mononitroglycerol (CHEBI:25403)
2-mononitroglycerol (CHEBI:19720) is a primary alcohol (CHEBI:15734)
IUPAC Name 
1,3-dihydroxypropan-2-yl nitrate
Synonyms  Source
glycerol 2-mononitrateChEBI
2-glyceryl mononitrateChEBI
2-(nitrooxy)propane-1,3-diolChEBI
glycerin 2-nitrateChEBI
glycerol-2-nitrateNIST Chemistry WebBook
2-mononitroglycerinChEBI
UniProt Name  Source
2-nitroglycerolUniProt
Manual XrefsDatabases
c0064UM-BBD
EP0361156Patent
EP0116944Patent
CPD-146MetaCyc
Registry NumbersSources
CAS:620-12-2NIST Chemistry WebBook
Citations