| SpectraBase Spectrum ID |
4h3OL45AKXe |
| Name |
5-Hydroxy-L-trytophan |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
4350-09-8 |
| ChEBI ID |
17780 |
| Comments |
Saturated 5-Hydroxy-L-tryptophan - Sigma-Aldrich
Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference DSS; pH 7.4, temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C11 H12 N2 O3 |
| IUPAC Name |
(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid; (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propionic acid |
| InChI |
InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1 |
| InChIKey |
LDCYZAJDBXYCGN-VIFPVBQESA-N |
| KEGG Compound ID |
C00643 |
| KEGG Pathways |
PATH: ko00380 Tryptophan metabolism |
| PubChem Compound ID |
439280 |
| SMILES |
C1=CC2=C(C=C1O)C(=CN2)CC(C(=O)O)N; C1=CC2=C(C=C1O)C(=CN2)C[C@@H](C(=O)O)N |
| Source File Reference |
bmse000457 |
