N-(2,4-Dinitrophenyl)-L-alanine methyl ester (CHEBI:180561)

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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-alanine methyl ester

ChEBI ID	CHEBI:180561

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C10H11N3O6

Net Charge

Average Mass

269.213

Monoisotopic Mass

269.06479

InChI

InChI=1S/C10H11N3O6/c1-6(10(14)19-2)11-8-4-3-7(12(15)16)5-9(8)13(17)18/h3-6,11H,1-2H3/t6-/m0/s1

InChIKey

RXDDNUKGTCKLDT-LURJTMIESA-N

SMILES

O(C(=O)[C@@H](NC1=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C1)C)C

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in pancreas (BTO:0000988). of strain PANC-1 cell [BCGO:0000122] See: MetaboLights Study

ChEBI Ontology
Outgoing	N-(2,4-Dinitrophenyl)-L-alanine methyl ester (CHEBI:180561) is a α-amino acid ester (CHEBI:46874)

IUPAC Name

methyl (2S)-2-(2,4-dinitroanilino)propanoate