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CHEBI:174316 - N-Phenylacetylaspartic acid

ChEBI IDCHEBI:174316
ChEBI NameN-Phenylacetylaspartic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H13NO5
Net Charge0
Average Mass251.238
Monoisotopic Mass251.07937
SMILESO=C(O)CC(NC(=O)Cc1ccccc1)C(=O)O
InChIInChI=1S/C12H13NO5/c14-10(6-8-4-2-1-3-5-8)13-9(12(17)18)7-11(15)16/h1-5,9H,6-7H2,(H,13,14)(H,15,16)(H,17,18)
InChIKeySVFKZPQPMMZHLZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-Phenylacetylaspartic acid (CHEBI:174316) is a aspartic acid derivative (CHEBI:22661)
IUPAC Name 
2-[(2-phenylacetyl)amino]butanedioic acid
Manual XrefsDatabases
HMDB0029355HMDB
489124ChemSpider