| SpectraBase Spectrum ID |
5s7n1EHexLQ |
| Name |
L-Valine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
16872-32-5
7004-03-7
72-18-4 |
| ChEBI ID |
16414 |
| Comments |
100 mM L-Valine - vendor: Sigma v500; 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 |
(2S)-2-amino-3-methyl-butanoic acid |
| InChI |
InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1 |
| InChIKey |
KZSNJWFQEVHDMF-BYPYZUCNSA-N |
| KEGG Compound ID |
C00183 |
| KEGG Pathways |
PATH: map00280 Valine, leucine and isoleucine degradation
PATH: map00290 Valine, leucine and isoleucine biosynthesis
PATH: map00311 Penicillins and cephalosporins biosynthesis
PATH: map00640 Propanoate metabolism
PATH: map00770 Pantothenate and CoA biosynthesis
PATH: map00970 Aminoacyl-tRNA biosynthesis
PATH: map02010 ABC transporters - General |
| PubChem Compound ID |
6287 |
| SMILES |
CC(C)C(C(=O)O)N |
| Source File Reference |
bmse000052 |
