| SpectraBase Spectrum ID |
7t10nIbMttJ |
| Name |
Choline |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
67-48-1
62-49-7
139741-81-4 |
| ChEBI ID |
15354 |
| Comments |
100 mM Choline - Sigma C7017; 100 % D2O 50 mM sodium phosphate 500 uM sodium azide 500 uM 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 - Qiu Cui, Ian Lewis, Brendan Hodis, Mark E. Anderson, John L. Markley. |
| Formula |
C5 H14 N O |
| IUPAC Name |
2-hydroxyethyl-trimethyl-azanium; 2-hydroxyethyl-trimethyl-ammonium |
| InChI |
InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1 |
| InChIKey |
OEYIOHPDSNJKLS-UHFFFAOYSA-N |
| KEGG Compound ID |
C00114 |
| KEGG Pathways |
PATH: map00260 Glycine, serine and threonine metabolism
PATH: map00564 Glycerophospholipid metabolism
PATH: map02010 ABC transporters - General |
| PubChem Compound ID |
305 |
| SMILES |
C[N+](C)(C)CCO |
| Source File Reference |
bmse000285 |
