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CHEBI:45658 - S-methylcysteine
| Formula | C4H9NO2S |
| Net Charge | 0 |
| Average Mass | 135.188 |
| Monoisotopic Mass | 135.03540 |
| SMILES | CSC[C@H](N)C(=O)O |
| InChI | InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1 |
| InChIKey | IDIDJDIHTAOVLG-VKHMYHEASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Allium cepa (ncbitaxon:4679) | - | PubMed (25650289) | |
| Allium sativum (ncbitaxon:4682) | - | PubMed (25650289) | |
| Homo sapiens (ncbitaxon:9606) | |||
| blood (UBERON:0000178) | PubMed (508804) | ||
| - | MetaboLights (MTBLS222) |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 Relation(s) |
| S-methylcysteine zwitterion (CHEBI:133545) is tautomer of S-methylcysteine (CHEBI:45658) |
| IUPAC Name |
|---|
| S-methyl-L-cysteine |
| Synonyms | Source |
|---|---|
| (2R)-2-amino-3-(methylsulfanyl)propanoic acid | IUPAC |
| 3-(Methylthio)-L-alanine | HMDB |
| L-Methylcysteine | HMDB |
| (R)-2-amino-3-(methylthio)propanoic acid | ChEBI |
| S-METHYLCYSTEINE | PDBeChem |
| S-methyl-L-cysteine | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| DB02216 | DrugBank |
| HMDB0002108 | HMDB |
| SMC | PDBeChem |
| S-METHYL-L-CYSTEINE | MetaCyc |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1721675 | Reaxys |
| CAS:1187-84-4 | ChemIDplus |
| Citations |
|---|