N-(2,6-Dimethylphenyl)-N-(methoxyacetyl) alanine (CHEBI:183423)

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CHEBI:183423 - N-(2,6-Dimethylphenyl)-N-(methoxyacetyl) alanine

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ChEBI ID	CHEBI:183423
ChEBI Name	N-(2,6-Dimethylphenyl)-N-(methoxyacetyl) alanine
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C14H19NO4
Net Charge	0
Average Mass	265.309
Monoisotopic Mass	265.13141
SMILES	COCC(=O)N(c1c(C)cccc1C)[C@@H](C)C(=O)O
InChI	InChI=1S/C14H19NO4/c1-9-6-5-7-10(2)13(9)15(11(3)14(17)18)12(16)8-19-4/h5-7,11H,8H2,1-4H3,(H,17,18)/t11-/m0/s1
InChIKey	ZRIKZVLHMGYCIR-NSHDSACASA-N

Species of Metabolite	Component	Source	Comments
Bombus terrestris (ncbitaxon:30195)
	brain (BTO:0000142)	MetaboLights (MTBLS3637)
	hindgut (BTO:0000510)	MetaboLights (MTBLS3637)
	hemolymph (BTO:0000572)	MetaboLights (MTBLS3637)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	N-(2,6-Dimethylphenyl)-N-(methoxyacetyl) alanine (CHEBI:183423) is a N-acyl-L-amino acid (CHEBI:21644)

IUPAC Name
(2S)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoic acid

Manual Xrefs	Databases
139976	ChemSpider

Registry Numbers	Sources
CAS:87764-37-2	ChemIDplus