| SpectraBase Spectrum ID |
A5e721gK5WG |
| Name |
Creatinine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
15231-31-9
45514-66-7
60-27-5
82016-55-5 |
| ChEBI ID |
16737 |
| Comments |
100 mM Creatinine - vendor: Acros 228940250; 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 |
C4H7N3O |
| IUPAC Name |
2-amino-1-methyl-5H-imidazol-4-one |
| InChI |
InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8) |
| InChIKey |
DDRJAANPRJIHGJ-UHFFFAOYSA-N |
| KEGG Compound ID |
C00791 |
| KEGG Pathways |
PATH: map00330 Arginine and proline metabolism |
| PubChem Compound ID |
588 |
| SMILES |
CN1CC(=O)N=C1N |
| Source File Reference |
bmse000155 |
