Methylcysteine
PubChem CID: 225710
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| Compound Synonyms | 7728-98-5, Methylcysteine, Cysteine, S-methyl-, 2-amino-3-(methylsulfanyl)propanoic acid, H-DL-Cys(Me)-OH, 19651-44-6, S-Methyl-D-Cys-OH, 2-amino-3-methylsulfanylpropanoic acid, S-Methyl-DL-cysteine, H-D-HoCys-OH, 2-amino-3-(methylthio)propanoic acid, USAF CB-24, (R)-2-Amino-3-methylmercaptopropionic acid, S-Methyl cysteine, Methylcysteine #, Methylcysteine, L-, DL-S-Methylcysteine, SCHEMBL110459, IDIDJDIHTAOVLG-UHFFFAOYSA-, CHEBI:229268, ALBB-033474, HAA72898, NSC15387, 2-amino-3-(methylthio)propanoicacid, EINECS 231-787-0, STL572703, 2-amino-3-methylsulanylpropanoic acid, AKOS000197034, AKOS022154885, SB75603, 2-amino-3-methylsulfanyl-propanoic acid, LS-13007, DB-041423, NS00037908, EN300-49161, G72750, AO-800/41069568, F8882-4377, Z317025996, 4346186C-81BE-40FB-9500-D3D9BF817752, InChI=1/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7) |
|---|---|
| Topological Polar Surface Area | 88.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | IDIDJDIHTAOVLG-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Substituent Name | S-alkyl-l-cysteine, Dialkylthioether, Sulfenyl compound, Thioether, Monocarboxylic acid or derivatives, Carboxylic acid, Hydrocarbon derivative, Primary amine, Organosulfur compound, Organooxygen compound, Organonitrogen compound, Primary aliphatic amine, Carbonyl group, Amine, Aliphatic acyclic compound |
| Synonyms | (R)-2-Amino-3-(methylmercapto)propionic acid, 3-(methylthio)-L-(8CI)alanine, 3-(methylthio)-L-alanine, 3-(Methylthio)alanine, Acm-thiopropionate, Acm-thiopropionic acid, Alanine, 3-(methylthio)-, L-, Alanine, 3-(methylthio)-, L- (8CI), CYM, Cysteine, s-methyl-, L-aspartic acid dimethyl ester, L-cysteine, s-methyl-, L-Cysteine, S-methyl- (9CI), L-methylcysteine, Methylcysteine, l-, S-acetamidomethyl-deamino-cysteine, S-methyl-(9CI)-L-cysteine, S-methyl-cysteine, S-methyl-DL-cysteine, S-methyl-l-cysteine, S-Methylcysteine, SMC |
| Heavy Atom Count | 8.0 |
| Compound Name | Methylcysteine |
| Kingdom | Organic compounds |
| Description | Occurs in all members of the genus Allium, at least two genera of Brassicaceae family (Brassica and Raphanus) and sporadically in the families Compositae, Leguminosae and Umbelliferae. Found in kidney bean seeds (Phaseolus vulgaris) Methylcysteine is one of the identified number of bioactive substances in garlic that are water soluble. (PMID 16484549), It has been suggested that the use of these organosulfur agents derived from garlic could protect partially oxidized and glycated LDL or plasma against further oxidative and glycative deterioration, which might benefit patients with diabetic-related vascular diseases. (PMID 15161248), It may also exert some chemopreventive effects on chemical carcinogenesis. However, it should be borne in mind that may also demonstrate promotion potential, depending on the organ examined. (PMID 9591199). S-Methylcystein is a biomarker for the consumption of dried and cooked beans. |
| Exact Mass | 135.035 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 135.035 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 86.1 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 135.19 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Enzyme Uniprot Id | P07339 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-3-methylsulfanylpropanoic acid |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Class | Carboxylic acids and derivatives |
| Inchi | InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7) |
| Smiles | CSCC(C(=O)O)N |
| Xlogp | -2.7 |
| Superclass | Organic acids and derivatives |
| Defined Bond Stereocenter Count | 0.0 |
| Subclass | Amino acids, peptides, and analogues |
| Molecular Formula | C4H9NO2S |
- 1. Outgoing r'ship
FOUND_INto/from Allium Cepa (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Phaseolus Lunatus (Plant) Rel Props:Source_db:fooddb_chem_all