S-Methyl-L-cysteine

Details

• Internal ID: 8d298643-52ca-4ce4-b24e-007fc21ecc7f
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Cysteine and derivatives > L-cysteine-S-conjugates
• IUPAC Name: (2R)-2-amino-3-methylsulfanylpropanoic acid
• SMILES (Canonical): CSCC(C(=O)O)N
• SMILES (Isomeric): CSC[C@@H](C(=O)O)N
• InChI: InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
• InChI Key: IDIDJDIHTAOVLG-VKHMYHEASA-N
• Popularity: 553 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄H₉NO₂S
• Molecular Weight: 135.19 g/mol
• Exact Mass: 135.03539970 g/mol
• Topological Polar Surface Area (TPSA): 88.60 Ų
• XlogP: -2.70

Synonyms

• 1187-84-4
• S-Methylcysteine
• H-Cys(Me)-OH
• S-methyl-cysteine
• L-Cysteine, S-methyl-
• (R)-2-amino-3-(methylthio)propanoic acid
• ALANINE, 3-(METHYLTHIO)-, L-
• H-Cys(Me)-OH.HCl
• (2R)-2-amino-3-(methylsulfanyl)propanoic acid
• A34I1H07YM
• CHEMBL394875
• CHEBI:45658
• Methylcysteine
• L-Methylcysteine
• S-Methyl-DL-cysteine
• CCRIS 1972
• 3-(methylthio)-L-alanine
• EINECS 214-701-6
• NSC 15387
• UNII-A34I1H07YM
• (2R)-2-azaniumyl-3-(methylsulfanyl)propanoate
• NSC-15387
• S-methyl-l-cys
• (R)-2-Amino-3-(methylmercapto)propionic acid
• S-N-Methylcysteine
• Cysteine,s-methyl-
• MFCD00002612
• L-S-Methyl-cysteine
• (2R)-2-amino-3-methylsulfanylpropanoic acid
• (-)-S-Methyl-L-cysteine
• S-METHYLCYSTEINE, L-
• 3-(METHYLTHIO)ALANINE
• SCHEMBL110458
• L-CH3SCH2CH(NH2)COOH
• S-METHYL-(R)-CYSTEINE
• DTXSID50862579
• HY-B2188
• EINECS 243-203-1
• BDBM50213729
• s4786
• S-METHYL-L-CYSTEINE, (-)-
• AKOS000275785
• AM82581
• CCG-266126
• CS-7653
• DB02216
• GS-3468
• M0233
• C22040
• EN300-314842
• M-3585
• A804094
• J-300343
• Q27093260
• Z760035320
• 0DDF4489-1BF1-4858-9127-80A71A348EC8
• S-Methyl-L-cysteine, substrate for methionine sulfoxide reductase A

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.08%	96.09%
CHEMBL4040	P28482	MAP kinase ERK2	95.63%	83.82%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	90.84%	92.29%
CHEMBL221	P23219	Cyclooxygenase-1	88.61%	90.17%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	86.53%	96.95%
CHEMBL2581	P07339	Cathepsin D	86.34%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.68%	99.17%

Plants that contains it

• Allium sativum

Cross-Links

• PubChem: 24417
• LOTUS: LTS0201907
• wikiData: Q27093260