S-Methyl-L-cysteine-S-oxide

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Systematic / IUPAC Name: 3-(Methylsulfinyl)-L-alanine

ID: Reference6237

Other Names: (R)-2-Amino-3-(methylsulfinyl)-propanoic acid;
(2R)-2-Amino-3-(methylsulfinyl)propanoic acid;
(Methylsulfinyl)-D-alanine;
S-Methyl-L-cysteine sulphoxide;
S-Methyl-L-cysteinesulfoxide ; more

Formula: C4H9NO3S

Class: Endogenous Metabolites

Spectral Data

S-Methyl-L-cysteine-S-oxide 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 1
No. of Spectra 200
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 1/20/2017 10:31:13 AM
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Identificators

InChI InChI=1S/C4H9NO3S/c1-9(8)2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-,9?/m0/s1
InChI Key ZZLHPCSGGOGHFW-BUKSALPDSA-N
Canonical SMILES CS(=O)CC(C(=O)O)N
CAS 6853878
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Other Names (R)-2-Amino-3-(methylsulfinyl)-propanoic acid;
(2R)-2-Amino-3-(methylsulfinyl)propanoic acid;
(Methylsulfinyl)-D-alanine;
S-Methyl-L-cysteine sulphoxide;
S-Methyl-L-cysteinesulfoxide;
NSC 226572 ;
S-Methylcysteine sulfoxide

In Other Databases

ChemSpider 158377
PubChem 182092
ChEMBL CHEMBL464167