| SpectraBase Spectrum ID |
D5dMzk8KQYf |
| Name |
L-Phenylalanine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
10549-09-4
3617-44-5
5297-02-9
63-91-2
673-06-3
67675-33-6 |
| ChEBI ID |
17299 |
| Comments |
100 mM L-phenyalanine - vendor: Sigma p2126; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz
(Data collected by Madison Metabolomics Consortium) |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C9H11NO2 |
| IUPAC Name |
(2S)-2-amino-3-phenyl-propanoic acid |
| InChI |
InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 |
| InChIKey |
COLNVLDHVKWLRT-QMMMGPOBSA-N |
| KEGG Compound ID |
C00079 |
| KEGG Pathways |
PATH: map00360 Phenylalanine metabolism
PATH: map00400 Phenylalanine, tyrosine and tryptophan biosynthesis
PATH: map00960 Alkaloid biosynthesis II
PATH: map00970 Aminoacyl-tRNA biosynthesis |
| PubChem Compound ID |
6140 |
| SMILES |
C1=CC=C(C=C1)CC(C(=O)O)N |
| Source File Reference |
bmse000045 |
