| SpectraBase Spectrum ID |
l5ZOiNS3WG |
| Name |
Valeric acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
12124-87-7; 109-52-4; 556-38-7 |
| ChEBI ID |
17418 |
| Comments |
100 mM Valeric 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 |
C5 H10 O2 |
| IUPAC Name |
pentanoic acid; valeric acid |
| InChI |
InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7) |
| InChIKey |
NQPDZGIKBAWPEJ-UHFFFAOYSA-N |
| KEGG Compound ID |
C00803 |
| PubChem Compound ID |
7991 |
| SMILES |
CCCCC(=O)O |
| Source File Reference |
bmse000345 |
