| SpectraBase Spectrum ID |
IhkqRsON2pi |
| Name |
4-Acetamidobutyric acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
3025-96-5 |
| ChEBI ID |
17645 |
| Comments |
100 mM 4-Acetamidobutyric 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 |
C6 H11 N O3 |
| IUPAC Name |
4-acetamidobutanoic acid; 4-acetamidobutyric acid |
| InChI |
InChI=1S/C6H11NO3/c1-5(8)7-4-2-3-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10) |
| InChIKey |
UZTFMUBKZQVKLK-UHFFFAOYSA-N |
| KEGG Compound ID |
C02946 |
| KEGG Pathways |
PATH: ko00220 Urea cycle and metabolism of amino groups |
| PubChem Compound ID |
18189 |
| SMILES |
CC(=O)NCCCC(=O)O |
| Source File Reference |
bmse000468 |
