| SpectraBase Spectrum ID |
C3UR9Jhf6l |
| Name |
N,N-Dimethylglycine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
1118-68-9
17647-86-8
18319-88-5
2491-06-7 |
| ChEBI ID |
17724 |
| Comments |
100 mM N,N-Dimethylglycine hydrochloride - vendor: Acros 204660050; 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 |
C4H9NO2 |
| IUPAC Name |
2-dimethylaminoethanoic acid; 2-dimethylaminoacetic acid |
| InChI |
InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7) |
| InChIKey |
FFDGPVCHZBVARC-UHFFFAOYSA-N |
| KEGG Compound ID |
C01026 |
| KEGG Pathways |
PATH: map00260 Glycine, serine and threonine metabolism |
| PubChem Compound ID |
673 |
| SMILES |
CN(C)CC(=O)O |
| Source File Reference |
bmse000241 |
