Serylmethionine

Details

• Internal ID: 986ea5a7-1ab5-43e1-89ec-c4cd5f6440e9
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides
• IUPAC Name: (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoic acid
• SMILES (Canonical): CSCCC(C(=O)O)NC(=O)C(CO)N
• SMILES (Isomeric): CSCC[C@@H](C(=O)O)NC(=O)[C@H](CO)N
• InChI: InChI=1S/C8H16N2O4S/c1-15-3-2-6(8(13)14)10-7(12)5(9)4-11/h5-6,11H,2-4,9H2,1H3,(H,10,12)(H,13,14)/t5-,6-/m0/s1
• InChI Key: PBUXMVYWOSKHMF-WDSKDSINSA-N
• Popularity: 9 references in papers

Physical and Chemical Properties

• Molecular Formula: C₈H₁₆N₂O₄S
• Molecular Weight: 236.29 g/mol
• Exact Mass: 236.08307817 g/mol
• Topological Polar Surface Area (TPSA): 138.00 Ų
• XlogP: -3.20

Synonyms

• L-Seryl-L-methionine
• 3227-09-6
• Ser-met
• H-Ser-Met-OH
• N-L-seryl-L-methionine
• Serinylmethionine
• Seryl-methionine
• SM dipeptide
• S-M Dipeptide
• Serinyl-Methionine
• L-Ser-L-Met
• L-Serinyl-L-Methionine
• Serine Methionine dipeptide
• Serine-Methionine dipeptide
• L-Methionine, N-L-seryl-
• SCHEMBL2549621
• CHEBI:74817
• DTXSID80186018
• MFCD00037817
• AKOS040754015
• (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoic acid
• Q27144927
• (2S)-2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoate

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
CHEMBL4040	P28482	MAP kinase ERK2	98.88%	83.82%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	94.77%	92.29%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.62%	96.09%
CHEMBL3359	P21462	Formyl peptide receptor 1	94.60%	93.56%
CHEMBL2581	P07339	Cathepsin D	93.64%	98.95%
CHEMBL236	P41143	Delta opioid receptor	92.95%	99.35%
CHEMBL221	P23219	Cyclooxygenase-1	91.77%	90.17%
CHEMBL3060	Q9Y345	Glycine transporter 2	91.43%	99.17%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	87.52%	100.00%
CHEMBL6136	O60341	Lysine-specific histone demethylase 1	85.90%	95.58%
CHEMBL1255126	O15151	Protein Mdm4	84.91%	90.20%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	84.56%	96.95%
CHEMBL1795139	Q8IU80	Transmembrane protease serine 6	84.39%	98.33%
CHEMBL4394	Q9NYA1	Sphingosine kinase 1	84.36%	96.03%
CHEMBL2514	O95665	Neurotensin receptor 2	83.87%	100.00%
CHEMBL340	P08684	Cytochrome P450 3A4	83.37%	91.19%
CHEMBL3308	P55212	Caspase-6	81.31%	97.56%
CHEMBL226	P30542	Adenosine A1 receptor	81.30%	95.93%
CHEMBL2095164	P49354	Geranylgeranyl transferase type I	80.84%	92.80%

Plants that contains it

• Arabidopsis thaliana

Cross-Links

• PubChem: 151087
• LOTUS: LTS0093274
• wikiData: Q27144927