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) |
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| Topological Polar Surface Area | 88.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 8.0 |
| 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. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 86.1 |
| Database Name | fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Enzyme Uniprot Id | P07339 |
| Iupac Name | 2-amino-3-methylsulfanylpropanoic acid |
| Nih Violation | False |
| Class | Carboxylic acids and derivatives |
| Xlogp | -2.7 |
| Superclass | Organic acids and derivatives |
| Is Pains | False |
| Subclass | Amino acids, peptides, and analogues |
| Molecular Formula | C4H9NO2S |
| Inchi Key | IDIDJDIHTAOVLG-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| 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 |
| 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 |
| Compound Name | Methylcysteine |
| Kingdom | Organic compounds |
| Exact Mass | 135.035 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 135.035 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 135.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| 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 |
| Defined Bond Stereocenter Count | 0.0 |
- 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