| SpectraBase Spectrum ID |
85kIfNMWexq |
| Name |
L-Tryptophan |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
6912-86-3
73-22-3
80206-30-0 |
| ChEBI ID |
16828 |
| Comments |
saturated N/A L-tryptophan - vendor: Sigma t0254; 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 |
C11H12N2O2 |
| IUPAC Name |
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid |
| InChI |
InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1 |
| InChIKey |
QIVBCDIJIAJPQS-VIFPVBQESA-N |
| KEGG Compound ID |
C00078 |
| KEGG Pathways |
PATH: map00380 Tryptophan metabolism
PATH: map00400 Phenylalanine, tyrosine and tryptophan biosynthesis
PATH: map00901 Indole and ipecac alkaloid biosynthesis
PATH: map00970 Aminoacyl-tRNA biosynthesis |
| PubChem Compound ID |
6305 |
| SMILES |
C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N |
| Source File Reference |
bmse000050 |
