| SpectraBase Spectrum ID |
4xekJFLWk7S |
| Name |
3-Ureidopropionic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
462-88-4 |
| ChEBI ID |
18261 |
| Comments |
100 mM 3-Ureidopropionic 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 N2 O3 |
| IUPAC Name |
3-(carbamoylamino)propanoic acid; 3-ureidopropionic acid; 3-ureidopropanoic acid; 3-(aminocarbonylamino)propanoic acid |
| InChI |
InChI=1S/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9) |
| InChIKey |
JSJWCHRYRHKBBW-UHFFFAOYSA-N |
| KEGG Compound ID |
C02642 |
| KEGG Pathways |
PATH: ko00240 Pyrimidine metabolism
PATH: ko00410 beta-Alanine metabolism
PATH: ko00770 Pantothenate and CoA biosynthesis |
| PubChem Compound ID |
111 |
| SMILES |
C(CNC(=O)N)C(=O)O |
| Source File Reference |
bmse000333 |
