L-aspartic acid beta-benzyl ester (CHEBI:167842)

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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	L-aspartic acid beta-benzyl ester

ChEBI ID	CHEBI:167842

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

Submitter	MetaboLights

Supplier Information	ChemicalBook:CB4232504, eMolecules:478751, ZINC000000156682

Download	Molfile XML SDF

Formula

C11H13NO4

Net Charge

Average Mass

223.228

Monoisotopic Mass

223.08446

InChI

InChI=1S/C11H13NO4/c12-9(11(14)15)6-10(13)16-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,14,15)/t9-/m0/s1

InChIKey

VGALFAWDSNRXJK-VIFPVBQESA-N

SMILES

O=C(O)[C@@H](N)CC(=O)OCC1=CC=CC=C1

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in blood serum (BTO:0000133). See: MetaboLights Study

ChEBI Ontology
Outgoing	L-aspartic acid beta-benzyl ester (CHEBI:167842) is a aspartic acid derivative (CHEBI:22661)

IUPAC Name

(2S)-2-amino-4-oxo-4-phenylmethoxybutanoic acid

Registry Number	Type	Source
2177-63-1	CAS Registry Number	ChemIDplus