| SpectraBase Spectrum ID |
8pL8dCEZQ2j |
| Name |
L-Leucine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
61-90-5
7005-03-0 |
| ChEBI ID |
15603 |
| Comments |
100 mM L-leucine - vendor: Sigma l8000; 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 |
C6H13NO2 |
| IUPAC Name |
(2S)-2-amino-4-methyl-pentanoic acid |
| InChI |
InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1 |
| InChIKey |
ROHFNLRQFUQHCH-YFKPBYRVSA-N |
| KEGG Compound ID |
C00123 |
| KEGG Pathways |
PATH: map00280 Valine, leucine and isoleucine degradation
PATH: map00290 Valine, leucine and isoleucine biosynthesis
PATH: map00970 Aminoacyl-tRNA biosynthesis
PATH: map02010 ABC transporters - General |
| PubChem Compound ID |
6106 |
| SMILES |
CC(C)CC(C(=O)O)N |
| Source File Reference |
bmse000042 |
