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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name N-(2,4-dinitrophenyl)-l-valine
ChEBI ID CHEBI:191139
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C11H13N3O6
Net Charge 0
Average Mass 283.240
Monoisotopic Mass 283.08044
InChI InChI=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
InChIKey AYLCDVYHZOZQKM-JTQLQIEISA-N
SMILES OC(=O)[C@@H](NC1=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C1)C(C)C
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) Found in INS-1 cell (BTO:0002135). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
87410 ChemSpider
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Registry Number Type Source
1694-97-9 CAS Registry Number ChemIDplus