DL-β-Leucine

Systematic / IUPAC Name: 3-Amino-4-methylpentanoic acid

ID: Reference414

Other Names: Pentanoic acid, 3-amino-4-methyl-;
β-Leucine;
DL-β-Homovaline;
DL-Homo-β-valine

Formula: C6H13NO2

Class: Endogenous Metabolites

Spectral Data

DL-β-Leucine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 2
No. of Spectra 221
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/16/2015 10:35:33 AM
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Identificators

InChI InChI=1S/C6H13NO2/c1-4(2)5(7)3-6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
InChI Key GLUJNGJDHCTUJY-UHFFFAOYSA-N
Canonical SMILES CC(C)C(CC(=O)O)N
CAS 5699547
Splash
Other Names Pentanoic acid, 3-amino-4-methyl-;
β-Leucine;
DL-β-Homovaline;
DL-Homo-β-valine

In Other Databases

KEGG C02486
PubChem 193411
Wikipedia Leucine
ChEBI CHEBI:72772
ChemIDPlus 005699547
ChemSpider 167837