CHEBI:45658 - S-methylcysteine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name S-methylcysteine
ChEBI ASCII Name S-methylcysteine
Definition A cysteine derivative that is L-cysteine in which the hydrogen attached to the sulfur is replaced by a methyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:90363, CHEBI:45655, CHEBI:22056
Supplier Information
Download Molfile XML SDF
more structures >>
Formulae C4H9NO2S
Net Charge 0
Average Mass 135.180
Monoisotopic Mass 135.03540
InChI InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
Metabolite of Species Details
Allium cepa (NCBI:txid4679) See: PubMed
Allium sativum (NCBI:txid4682) See: PubMed
Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: PubMed
Homo sapiens (NCBI:txid9606) See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): human urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing S-methylcysteine (CHEBI:45658) has role human urinary metabolite (CHEBI:84087)
S-methylcysteine (CHEBI:45658) has role plant metabolite (CHEBI:76924)
S-methylcysteine (CHEBI:45658) is a S-alkyl-L-cysteine (CHEBI:47915)
S-methylcysteine (CHEBI:45658) is tautomer of S-methylcysteine zwitterion (CHEBI:133545)
Incoming S-methylcysteine zwitterion (CHEBI:133545) is tautomer of S-methylcysteine (CHEBI:45658)
Synonyms Sources
(2R)-2-amino-3-(methylsulfanyl)propanoic acid IUPAC
(R)-2-amino-3-(methylthio)propanoic acid ChEBI
3-(Methylthio)-L-alanine HMDB
L-Methylcysteine HMDB
S-methyl-L-cysteine PDBeChem
Manual Xrefs Databases
DB02216 DrugBank
HMDB0002108 HMDB
View more database links
Registry Numbers Types Sources
1187-84-4 CAS Registry Number ChemIDplus
1721675 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
15161248 PubMed citation Europe PMC
19367645 PubMed citation Europe PMC
21110385 PubMed citation Europe PMC
23417484 PubMed citation Europe PMC
25650289 PubMed citation Europe PMC
26887651 PubMed citation Europe PMC
26928722 PubMed citation Europe PMC
508804 PubMed citation Europe PMC
7451605 PubMed citation Europe PMC
993852 PubMed citation Europe PMC
Last Modified
25 November 2019