| SpectraBase Spectrum ID |
KBYc1g1xz6J |
| Name |
4-Methyl-5-thiazoleethanol |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
8042-97-5; 137-00-8 |
| ChEBI ID |
17957 |
| Comments |
100 mM 4-METHYL-5-THIAZOLEETHANOL - 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 |
C6 H9 N O S |
| IUPAC Name |
2-(4-methyl-1,3-thiazol-5-yl)ethanol; 2-(4-methylthiazol-5-yl)ethanol; 2-(4-methyl-5-thiazolyl)ethanol |
| InChI |
InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3 |
| InChIKey |
BKAWJIRCKVUVED-UHFFFAOYSA-N |
| KEGG Compound ID |
C04294 |
| KEGG Pathways |
PATH: ko00730 Thiamine metabolism |
| PubChem Compound ID |
1136 |
| SMILES |
CC1=C(SC=N1)CCO |
| Source File Reference |
bmse000355 |
