| SpectraBase Spectrum ID |
AAI94lxrnVh |
| Name |
N-Acetyl-D-phenylalanine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
10172-89-1 |
| ChEBI ID |
28203 |
| Comments |
100 mM N-acetyl-D-Phenyl alanine - Sigma-Aldrich; Solvent D2O; Buffer sodium phosphate; Cytocide sodium azide; Reference DSS; pH 7.4, temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C11 H13 N O3 |
| IUPAC Name |
(2R)-2-acetamido-3-phenylpropanoic acid; (2R)-2-acetamido-3-phenyl-propionic acid; (2R)-2-acetamido-3-phenyl-propanoic acid |
| InChI |
InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m1/s1 |
| InChIKey |
CBQJSKKFNMDLON-SNVBAGLBSA-N |
| KEGG Compound ID |
C05620 |
| KEGG Pathways |
PATH: ko00360 Phenylalanine metabolism |
| PubChem Compound ID |
101184 |
| SMILES |
CC(=O)NC(CC1=CC=CC=C1)C(=O)O |
| Source File Reference |
bmse000479 |
