| SpectraBase Spectrum ID |
BxmQezn2Jk8 |
| Name |
Agmatine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
306-60-5 |
| ChEBI ID |
17431 |
| Comments |
100 mM agmatine sulfate salt - vendor: Sigma a7127; 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 |
C5H14N4 |
| IUPAC Name |
2-(4-aminobutyl)guanidine |
| InChI |
InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9) |
| InChIKey |
QYPPJABKJHAVHS-UHFFFAOYSA-N |
| KEGG Compound ID |
C00179 |
| KEGG Pathways |
PATH: map00220 Urea cycle and metabolism of amino groups |
| PubChem Compound ID |
199 |
| SMILES |
C(CCN=C(N)N)CN |
| Source File Reference |
bmse000063 |
