gamma-Glutamyl-s-ethenyl-cysteine

Details

• Internal ID: d5183a08-75a4-4eb3-91d3-7d622de6962e
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides
• IUPAC Name: (2S)-2-amino-5-[[(1R)-1-carboxy-2-ethenylsulfanylethyl]amino]-5-oxopentanoic acid
• SMILES (Canonical): C=CSCC(C(=O)O)NC(=O)CCC(C(=O)O)N
• SMILES (Isomeric): C=CSC[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N
• InChI: InChI=1S/C10H16N2O5S/c1-2-18-5-7(10(16)17)12-8(13)4-3-6(11)9(14)15/h2,6-7H,1,3-5,11H2,(H,12,13)(H,14,15)(H,16,17)/t6-,7-/m0/s1
• InChI Key: XTUVFFIBYCLWPH-BQBZGAKWSA-N
• Popularity: 6 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₆N₂O₅S
• Molecular Weight: 276.31 g/mol
• Exact Mass: 276.07799279 g/mol
• Topological Polar Surface Area (TPSA): 155.00 Ų
• XlogP: -3.00

Synonyms

There are no found synonyms.

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	99.70%	83.82%
CHEMBL3060	Q9Y345	Glycine transporter 2	96.07%	99.17%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	95.57%	92.29%
CHEMBL233	P35372	Mu opioid receptor	95.04%	97.93%
CHEMBL2581	P07339	Cathepsin D	91.50%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.86%	91.11%
CHEMBL236	P41143	Delta opioid receptor	90.39%	99.35%
CHEMBL340	P08684	Cytochrome P450 3A4	88.77%	91.19%
CHEMBL1255126	O15151	Protein Mdm4	86.63%	90.20%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	86.29%	100.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.29%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.72%	94.45%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	83.35%	90.71%
CHEMBL2413	P32246	C-C chemokine receptor type 1	83.12%	89.50%
CHEMBL221	P23219	Cyclooxygenase-1	82.33%	90.17%
CHEMBL226	P30542	Adenosine A1 receptor	82.07%	95.93%
CHEMBL2001	Q9H244	Purinergic receptor P2Y12	80.98%	96.00%
CHEMBL4246	P42680	Tyrosine-protein kinase TEC	80.88%	82.05%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	80.75%	96.95%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	80.75%	93.00%

Plants that contains it

• Vicia narbonensis

Cross-Links

• PubChem: 91252119
• LOTUS: LTS0122975
• wikiData: Q105341944