| SpectraBase Spectrum ID |
5GP9TBkBFlo |
| Name |
Butyric acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
156-54-7; 107-92-6 |
| ChEBI ID |
30772 |
| Comments |
100 mM Butyric acid - 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 H8 O2 |
| IUPAC Name |
butanoic acid; butyric acid |
| InChI |
InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6) |
| InChIKey |
FERIUCNNQQJTOY-UHFFFAOYSA-N |
| KEGG Compound ID |
C00246 |
| KEGG Pathways |
PATH: ko00650 Butanoate metabolism |
| PubChem Compound ID |
264 |
| SMILES |
CCCC(=O)O |
| Source File Reference |
bmse000402 |
