Record Information
Version1.0
StatusDetected and Quantified
Creation Date2020-12-10 18:54:04 UTC
Update Date2024-04-30 19:33:36 UTC
Metabolite IDMMDBc0000746
Metabolite Identification
Common NameN-Acetylmethionine sulfoxide
DescriptionN-Acetylmethionine sulfoxide (CAS: 3054-51-1), also known as N-ACMSO or 2-(acetylamino)-4-(methylsulfinyl)butanoic acid, belongs to the class of organic compounds known as N-acyl-L-alpha-amino acids. These are N-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom. N-Acetylmethionine sulfoxide has been identified in the human placenta (PMID: 32033212 ).
Structure
Synonyms
ValueSource
(2S)-2-[(1-Hydroxyethylidene)amino]-4-methanesulfinylbutanoateGenerator
(2S)-2-[(1-Hydroxyethylidene)amino]-4-methanesulphinylbutanoateGenerator
(2S)-2-[(1-Hydroxyethylidene)amino]-4-methanesulphinylbutanoic acidGenerator
N-ACMSOMeSH
N-Acetylmethionine sulfoxideMeSH
(2S)-2-(Acetylamino)-4-(methylsulfinyl)butanoic acidHMDB
(2S)-2-Acetamido-4-(methylsulfinyl)butanoic acidHMDB
(2S)-2-Acetamido-4-methanesulfinylbutanoic acidHMDB
(2S)-2-Acetamido-4-methylsulfinylbutanoic acidHMDB
2-(Acetylamino)-4-(methylsulfinyl)butanoic acidHMDB
N-Acetyl-L-methionine sulfoxideHMDB
Molecular FormulaC7H13NO4S
Average Mass207.24
Monoisotopic Mass207.056529077
IUPAC Name(2S)-2-acetamido-4-methanesulfinylbutanoic acid
Traditional Name(2S)-2-acetamido-4-methanesulfinylbutanoic acid
CAS Registry NumberNot Available
SMILES
CC(=O)N[C@@H](CCS(C)=O)C(O)=O
InChI Identifier
InChI=1S/C7H13NO4S/c1-5(9)8-6(7(10)11)3-4-13(2)12/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-,13?/m0/s1
InChI KeyNPIMMZJBURSMON-YLTHGKPTSA-N