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CHEBI:19070 - 1-mononitroglycerol

Default Structure
ChEBI IDCHEBI:19070
ChEBI Name1-mononitroglycerol
Stars
DefinitionA mononitroglycerol that is glycerol in which the hydrogen atom of the hydroxy group at position 1 is replaced by a nitro group.
Last Modified27 May 2024
DownloadsMolfile
FormulaC3H7NO5
Net Charge0
Average Mass137.091
Monoisotopic Mass137.03242
SMILESO=[N+]([O-])OCC(O)CO
InChIInChI=1S/C3H7NO5/c5-1-3(6)2-9-4(7)8/h3,5-6H,1-2H2
InChIKeyHXWLJBVVXXBZCM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-mononitroglycerol (CHEBI:19070) is a diol (CHEBI:23824)
1-mononitroglycerol (CHEBI:19070) is a mononitroglycerol (CHEBI:25403)
1-mononitroglycerol (CHEBI:19070) is a primary alcohol (CHEBI:15734)
1-mononitroglycerol (CHEBI:19070) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
2,3-dihydroxypropyl nitrate
Synonyms  Source
1-MNGUM-BBD
1-mononitroglycerinChEBI
1-nitrate-1,2,3-propanetriolChEBI
glycerin 1-nitrateChEBI
glycerol 1-mononitrateChEBI
glycerol-1-nitrateChEBI
UniProt Name  Source
1-nitroglycerolUniProt
Manual XrefsDatabases
c0065UM-BBD
EP0361156Patent
Registry NumbersSources
CAS:624-43-1ChEBI
Citations