| SpectraBase Spectrum ID |
BVhbUubFdqu |
| Name |
Ethanol |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
64-17-5 |
| ChEBI ID |
16236 |
| Comments |
100 mM Ethanol; 100 % D2O 50 mM sodium phosphate 500 uM sodium azide 500 uM 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 - Qiu Cui, Ian Lewis, Brendan Hodis, Mark E. Anderson, John L. Markley. |
| Formula |
C2H6O |
| IUPAC Name |
ethanol |
| InChI |
InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3 |
| InChIKey |
LFQSCWFLJHTTHZ-UHFFFAOYSA-N |
| KEGG Compound ID |
C00469 |
| KEGG Pathways |
PATH: map00010 Glycolysis / Gluconeogenesis |
| PubChem Compound ID |
702 |
| SMILES |
CCO |
| Source File Reference |
bmse000297 |
