| SpectraBase Spectrum ID |
5X1zHSpFgZx |
| Name |
Diethanolamine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
61791-46-6; 111-42-2 |
| ChEBI ID |
28123 |
| Comments |
100 mM diethanolamine - 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 |
C4 H11 N O2 |
| IUPAC Name |
2-(2-hydroxyethylamino)ethanol |
| InChI |
InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2 |
| InChIKey |
ZBCBWPMODOFKDW-UHFFFAOYSA-N |
| KEGG Compound ID |
C06772 |
| KEGG Pathways |
PATH: ko00564 Glycerophospholipid metabolism |
| PubChem Compound ID |
8113 |
| SMILES |
C(CO)NCCO |
| Source File Reference |
bmse000371 |
