Valine

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Systematic / IUPAC Name: DL-Valine

ID: Reference772

Other Names: (RS)-Valine;
(S)-2-Amino-3-methylbutanoic acid;
Butanoic acid, 2-amino-3-methyl-;
D,L-Valine;
DL-Val ; more

Formula: C5H11NO2

Class: Endogenous Metabolites

Spectral Data

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

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 225
Tandem Spectra MS1, MS2
Ionization Methods ESI; APCI
Analyzers FT
Last Modification 4/21/2022 2:22:26 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)
InChI Key KZSNJWFQEVHDMF-UHFFFAOYSA-N
Canonical SMILES CC(C)C(C(=O)O)N
CAS 72184
Splash
Other Names (RS)-Valine;
(S)-2-Amino-3-methylbutanoic acid;
Butanoic acid, 2-amino-3-methyl-;
D,L-Valine;
DL-Val;
H-DL-Val-OH;
Valin;
Valina;
Valine, DL-;
(+/-)-α-Aminoisovaleric acid;
2-Amino-3-methylbutanoic acid;
2-Amino-3-methylbutanoic acid (DL-valine);
2-Amino-3-methylbutanoic acid, DL-;
2-Amino-3-methylbutyric acid, DL-;
2-Aminoisovaleric acid;
2-Aminoisovaleric acid, DL-;
DL-α-Aminoisovaleric acid;
DL-2-Amino-3-methylbutanoic acid;
DL-2-Aminoisovaleric acid

In Other Databases

KEGG C16436
ChemSpider 1148
ChemIDPlus 000516063
WebBook 1356348862
ChEMBL CHEMBL11257
ChEBI CHEBI:27266
Wikipedia Valine
PubChem 1182