| SpectraBase Spectrum ID |
B8t0l9HLQrE |
| Name |
Taurine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
107-35-7
91105-79-2 |
| ChEBI ID |
15891 |
| Comments |
100 mM taurine - vendor: MP Biomedicals 103003; 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 |
C2H7NO3S |
| IUPAC Name |
2-aminoethanesulfonic acid |
| InChI |
InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6) |
| InChIKey |
XOAAWQZATWQOTB-UHFFFAOYSA-N |
| KEGG Compound ID |
C00245 |
| KEGG Pathways |
PATH: map00120 Bile acid biosynthesis
PATH: map00430 Taurine and hypotaurine metabolism
PATH: map02010 ABC transporters - General
PATH: map04080 Neuroactive ligand-receptor interaction |
| PubChem Compound ID |
1123 |
| SMILES |
C(CS(=O)(=O)O)N |
| Source File Reference |
bmse000120 |
