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

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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
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Formula C11H13NO4
Net Charge 0
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
Manual Xref Database
91424 ChemSpider
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Registry Number Type Source
2177-63-1 CAS Registry Number ChemIDplus