| SpectraBase Spectrum ID |
ChnGmwSpTtS |
| Name |
L-Canavanine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
543-38-4 |
| Comments |
100 mM L_canavanine_sulfate_salt - vendor: Sigma c9758; 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 |
C5H12N4O3 |
| IUPAC Name |
(2S)-2-amino-4-(diaminomethylideneamino)oxy-butanoic acid; (2S)-2-amino-4-guanidinooxy-butanoic acid |
| InChI |
InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/t3-/m0/s1 |
| InChIKey |
FSBIGDSBMBYOPN-VKHMYHEASA-N |
| KEGG Compound ID |
C00308 |
| PubChem Compound ID |
439202 |
| SMILES |
C(CON=C(N)N)C(C(=O)O)N |
| Source File Reference |
bmse000073 |
