| SpectraBase Spectrum ID |
AnPZH5z95wI |
| Name |
3-Hydroxybutyrate |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
300-85-6
625-71-8 |
| Comments |
100 mM Sodium 3-hydroxybutyrate - vendor: Alfa Aesar L10145; 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 |
C4H8O3 |
| IUPAC Name |
3-hydroxybutanoic acid |
| InChI |
InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7) |
| InChIKey |
WHBMMWSBFZVSSR-UHFFFAOYSA-N |
| PubChem Compound ID |
441 |
| SMILES |
CC(CC(=O)O)O |
| Source File Reference |
bmse000161 |
