N-gamma-Glutamyl-S-allylcysteine
| Internal ID | acd355df-0d61-4169-a37f-f1e3ed4f83d1 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides |
| IUPAC Name | 2-amino-5-[(1-carboxy-2-prop-2-enylsulfanylethyl)amino]-5-oxopentanoic acid |
| SMILES (Canonical) | C=CCSCC(C(=O)O)NC(=O)CCC(C(=O)O)N |
| SMILES (Isomeric) | C=CCSCC(C(=O)O)NC(=O)CCC(C(=O)O)N |
| InChI | InChI=1S/C11H18N2O5S/c1-2-5-19-6-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h2,7-8H,1,3-6,12H2,(H,13,14)(H,15,16)(H,17,18) |
| InChI Key | FUTHBNRZCFKVQZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C11H18N2O5S |
| Molecular Weight | 290.34 g/mol |
| Exact Mass | 290.09364285 g/mol |
| Topological Polar Surface Area (TPSA) | 155.00 Ų |
| XlogP | -2.80 |
| L-gamma-Glutamyl-(S)-Allyl-Cysteine |
| Glutamyl-S-allylcysteine |
| N-g-Glutamyl-S-allylcysteine |
| SCHEMBL1157665 |
| CHEBI:168646 |
| 2-amino-5-[(1-carboxy-2-prop-2-enylsulanylethyl)amino]-5-oxopentanoic acid |
| 2-amino-4-{[1-carboxy-2-(prop-2-en-1-ylsulfanyl)ethyl]carbamoyl}butanoic acid |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.14% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.64% | 99.17% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 96.40% | 92.29% |
| CHEMBL236 | P41143 | Delta opioid receptor | 94.28% | 99.35% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.57% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.26% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.71% | 91.19% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 89.14% | 90.20% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.35% | 96.09% |
| CHEMBL233 | P35372 | Mu opioid receptor | 87.91% | 97.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.65% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.94% | 94.45% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 86.55% | 100.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.94% | 89.34% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 83.65% | 96.00% |
| CHEMBL4246 | P42680 | Tyrosine-protein kinase TEC | 83.46% | 82.05% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.15% | 89.50% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.04% | 95.93% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.01% | 96.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.92% | 95.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.85% | 97.21% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.52% | 90.71% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Allium sativum |
| PubChem | 11193907 |
| LOTUS | LTS0100045 |
| wikiData | Q105001989 |