CHEBI:191139 - N-(2,4-dinitrophenyl)-l-valine

ChEBI IDCHEBI:191139
ChEBI NameN-(2,4-dinitrophenyl)-l-valine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H13N3O6
Net Charge0
Average Mass283.240
Monoisotopic Mass283.08044
SMILESCC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O
InChIInChI=1S/C11H13N3O6/c1-6(2)10(11(15)16)12-8-4-3-7(13(17)18)5-9(8)14(19)20/h3-6,10,12H,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyAYLCDVYHZOZQKM-JTQLQIEISA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
ChEBI Ontology
Outgoing Relation(s)
N-(2,4-dinitrophenyl)-l-valine (CHEBI:191139) is a valine derivative (CHEBI:27267)
IUPAC Name 
(2S)-2-(2,4-dinitroanilino)-3-methylbutanoic acid
Manual XrefsDatabases
87410ChemSpider
Registry NumbersSources
CAS:1694-97-9ChemIDplus