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CHEBI:228436 - 3-hydroxy-2-(3-nitro-4-piperidinobenzyl)propanenitrile

ChEBI IDCHEBI:228436
ChEBI Name3-hydroxy-2-(3-nitro-4-piperidinobenzyl)propanenitrile
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H19N3O3
Net Charge0
Average Mass289.335
Monoisotopic Mass289.14264
SMILESN#CC(CO)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H19N3O3/c16-10-13(11-19)8-12-4-5-14(15(9-12)18(20)21)17-6-2-1-3-7-17/h4-5,9,13,19H,1-3,6-8,11H2
InChIKeyHRHPNESVWVAOOG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
3-hydroxy-2-(3-nitro-4-piperidinobenzyl)propanenitrile (CHEBI:228436) is a piperidines (CHEBI:26151)
IUPAC Name 
2-(hydroxymethyl)-3-(3-nitro-4-piperidin-1-ylphenyl)propanenitrile
Manual XrefsDatabases
2010096ChemSpider