| SpectraBase Spectrum ID |
2BoZaiTqrxJ |
| Name |
4-Guanidinobutyric acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
463-00-3 |
| ChEBI ID |
15728 |
| Comments |
100 mM 4-Guanidinobutyric 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 H11 N3 O2 |
| IUPAC Name |
4-(diaminomethylideneamino)butanoic acid; 4-guanidinobutyric acid; 4-guanidinobutanoic acid |
| InChI |
InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8) |
| InChIKey |
TUHVEAJXIMEOSA-UHFFFAOYSA-N |
| KEGG Compound ID |
C01035 |
| KEGG Pathways |
PATH: ko00220 Urea cycle and metabolism of amino groups |
| PubChem Compound ID |
500 |
| SMILES |
C(CC(=O)O)CN=C(N)N |
| Source File Reference |
bmse000344 |
