| SpectraBase Spectrum ID |
6IJk9614bFi |
| Name |
5-Hydroxyindole-3-acetic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
99155-61-0; 54-16-0; 1321-73-9 |
| Comments |
100 mM 5-hydroxyindole-3-acetic acid - 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 |
C10 H9 N O3 |
| IUPAC Name |
2-(5-hydroxy-1H-indol-3-yl)acetic acid; 2-(5-hydroxy-1H-indol-3-yl)ethanoic acid |
| InChI |
InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14) |
| InChIKey |
DUUGKQCEGZLZNO-UHFFFAOYSA-N |
| KEGG Compound ID |
C05635 |
| KEGG Pathways |
PATH: ko00380 Tryptophan metabolism |
| PubChem Compound ID |
1826 |
| SMILES |
C1=CC2=C(C=C1O)C(=CN2)CC(=O)O |
| Source File Reference |
bmse000364 |
