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

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

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ChEBI ID	CHEBI:180561
ChEBI Name	N-(2,4-Dinitrophenyl)-L-alanine methyl ester
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C10H11N3O6
Net Charge	0
Average Mass	269.213
Monoisotopic Mass	269.06479
SMILES	COC(=O)[C@H](C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
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

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	pancreas (BTO:0000988)	MetaboLights (MTBLS1925)	Strain: PANC-1 cell [BCGO:0000122]

ChEBI Ontology

Outgoing Relation(s)
	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

Manual Xrefs	Databases
18652933	ChemSpider