| SpectraBase Spectrum ID |
8r995GxrWKp |
| Name |
Betaine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
107-43-7
11042-12-9
24980-93-6
45631-77-4
590-30-7
590-46-5 |
| ChEBI ID |
17750 |
| Comments |
100 mM betaine - vendor: Sigma b2629; 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 |
C5H11NO2 |
| IUPAC Name |
2-trimethylammonioethanoate; 2-trimethylammonioacetate |
| InChI |
InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3 |
| InChIKey |
KWIUHFFTVRNATP-UHFFFAOYSA-N |
| KEGG Compound ID |
C00719 |
| KEGG Pathways |
PATH: map00260 Glycine, serine and threonine metabolism
PATH: map02010 ABC transporters - General |
| PubChem Compound ID |
247 |
| SMILES |
C[N+](C)(C)CC(=O)[O-] |
| Source File Reference |
bmse000069 |
