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CHEBI:194359 - N-acetyl-S-methyl-L-cysteine

ChEBI IDCHEBI:194359
ChEBI NameN-acetyl-S-methyl-L-cysteine
Stars
ASCII NameN-acetyl-S-methyl-L-cysteine
DefinitionThe S-methyl derivative of N-acetyl-L-cysteine.
Last Modified9 February 2023
SubmitterAdnan
DownloadsMolfile
FormulaC6H11NO3S
Net Charge0
Average Mass177.225
Monoisotopic Mass177.04596
SMILESCSC[C@H](NC(C)=O)C(=O)O
InChIInChI=1S/C6H11NO3S/c1-4(8)7-5(3-11-2)6(9)10/h5H,3H2,1-2H3,(H,7,8)(H,9,10)/t5-/m0/s1
InChIKeyRYGLCORNOFFGTB-YFKPBYRVSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) Urine (NCIT:C13283) PubMed (21110385)
Roles Classification
Biological Roles:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
N-acetyl-S-methyl-L-cysteine (CHEBI:194359) has role human urinary metabolite (CHEBI:84087)
N-acetyl-S-methyl-L-cysteine (CHEBI:194359) has role human xenobiotic metabolite (CHEBI:76967)
N-acetyl-S-methyl-L-cysteine (CHEBI:194359) is a S-substituted N-acetyl-L-cysteine (CHEBI:47911)
N-acetyl-S-methyl-L-cysteine (CHEBI:194359) is a methyl sulfide (CHEBI:86315)
N-acetyl-S-methyl-L-cysteine (CHEBI:194359) is conjugate acid of N-acetyl-S-methyl-L-cysteine(1−) (CHEBI:194347)
Incoming Relation(s)
N-acetyl-S-methyl-L-cysteine(1−) (CHEBI:194347) is conjugate base of N-acetyl-S-methyl-L-cysteine (CHEBI:194359)
IUPAC Name 
N-acetyl-S-methyl-L-cysteine
Synonyms  Source
(2R)-2-acetamido-3-(methylsulfanyl)propanoic acidIUPAC
(R)-2-(acetylamino)-3-(methylthio)propionic acidChEBI
(2R)-2-acetamido-3-methylsulfanylpropanoic acidChEBI
S-methylmercapturic acidChEBI
(R)-2-acetamido-3-(methylthio)propanoic acidChEBI
Manual XrefsDatabases
HMDB0240544HMDB
Registry NumbersSources
CAS:16637-59-5ChEBI
Citations