| SpectraBase Spectrum ID |
L4dkKO20Eg6 |
| Name |
Creatine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
57-00-1 |
| ChEBI ID |
16919 |
| Comments |
saturated N/A creatine hydrate - vendor: Sigma c3630; 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 © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C4H9N3O2 |
| IUPAC Name |
2-(carbamimidoyl-methyl-amino)ethanoic acid; 2-(carbamimidoyl-methyl-amino)acetic acid; 2-(amidino-methyl-amino)acetic acid |
| InChI |
InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9) |
| InChIKey |
CVSVTCORWBXHQV-UHFFFAOYSA-N |
| KEGG Compound ID |
C00300 |
| KEGG Pathways |
PATH: map00260 Glycine, serine and threonine metabolism
PATH: map00330 Arginine and proline metabolism |
| PubChem Compound ID |
586 |
| SMILES |
CN(CC(=O)O)C(=N)N |
| Source File Reference |
bmse000078 |
