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L-leucine
SpectraBase Compound ID LsQ54atWvn9
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
Mol Weight 131.17 g/mol
Molecular Formula C6H13NO2
Exact Mass 131.094629 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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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