EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C21H30N4O7S2 |
| Net Charge | 0 |
| Average Mass | 514.626 |
| Monoisotopic Mass | 514.15559 |
| SMILES | CSCCC(NC(=O)C(N)CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)NC(CS)C(=O)O |
| InChI | InChI=1S/C21H30N4O7S2/c1-34-8-7-14(23-18(28)13(22)10-17(26)27)19(29)24-15(9-12-5-3-2-4-6-12)20(30)25-16(11-33)21(31)32/h2-6,13-16,33H,7-11,22H2,1H3,(H,23,28)(H,24,29)(H,25,30)(H,26,27)(H,31,32) |
| InChIKey | TYPQAKSJJYOJBL-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Trypanosoma brucei (ncbitaxon:5691) | cell culture (BTO:0000214) | MetaboLights (MTBLS2559) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Asp-Met-Phe-Cys (CHEBI:183144) is a tetrapeptide (CHEBI:48030) |
| IUPAC Name |
|---|
| 3-amino-4-[[1-[[1-[(1-carboxy-2-sulanylethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methylsulanyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 16605085 | ChemSpider |