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

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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-(2,6-Dimethylphenyl)-N-(methoxyacetyl) alanine

ChEBI ID	CHEBI:183423

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H19NO4

Net Charge

Average Mass

265.309

Monoisotopic Mass

265.13141

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

SMILES

O(CC(=O)N(C1=C(C=CC=C1C)C)[C@@H](C)C(O)=O)C

Metabolite of Species	Details
Bombus terrestris (NCBI:txid30195)	Found in hindgut (BTO:0000510). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in brain (BTO:0000142). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in hemolymph (BTO:0000572). See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	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

Registry Number	Type	Source
87764-37-2	CAS Registry Number	ChemIDplus