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

ChEBI IDCHEBI:167842
ChEBI NameL-aspartic acid beta-benzyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H13NO4
Net Charge0
Average Mass223.228
Monoisotopic Mass223.08446
SMILESN[C@@H](CC(=O)OCc1ccccc1)C(=O)O
InChIInChI=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
InChIKeyVGALFAWDSNRXJK-VIFPVBQESA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2542)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
91424ChemSpider
Registry NumbersSources
CAS:2177-63-1ChemIDplus