| SpectraBase Spectrum ID |
3SFwt3eE7ME |
| Name |
L-Threonine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
13095-55-1
36676-50-3
72-19-5 |
| ChEBI ID |
16857 |
| Comments |
100 mM L-Threonine - vendor: Sigma t8625; 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 |
C4H9NO3 |
| IUPAC Name |
(2S,3R)-2-amino-3-hydroxy-butanoic acid |
| InChI |
InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1 |
| InChIKey |
AYFVYJQAPQTCCC-GBXIJSLDSA-N |
| KEGG Compound ID |
C00188 |
| KEGG Pathways |
PATH: map00260 Glycine, serine and threonine metabolism
PATH: map00290 Valine, leucine and isoleucine biosynthesis
PATH: map00860 Porphyrin and chlorophyll metabolism
PATH: map00970 Aminoacyl-tRNA biosynthesis
PATH: map02010 ABC transporters - General |
| PubChem Compound ID |
6288 |
| SMILES |
CC(C(C(=O)O)N)O |
| Source File Reference |
bmse000049 |
