EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H30N6O10 |
| Net Charge | 0 |
| Average Mass | 514.492 |
| Monoisotopic Mass | 514.20234 |
| SMILES | CC(O)C(NC(=O)C(Cc1cncn1)NC(=O)C(CCC(=O)O)NC(=O)C(N)CCC(=O)O)C(=O)O |
| InChI | InChI=1S/C20H30N6O10/c1-9(27)16(20(35)36)26-19(34)13(6-10-7-22-8-23-10)25-18(33)12(3-5-15(30)31)24-17(32)11(21)2-4-14(28)29/h7-9,11-13,16,27H,2-6,21H2,1H3,(H,22,23)(H,24,32)(H,25,33)(H,26,34)(H,28,29)(H,30,31)(H,35,36) |
| InChIKey | RZJIZCXOYDRDBX-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) |
| Glu-Glu-His-Thr (CHEBI:183192) is a tetrapeptide (CHEBI:48030) |
| IUPAC Name |
|---|
| 4-amino-5-[[4-carboxy-1-[[1-[(1-carboxy-2-hydroxypropyl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 16618165 | ChemSpider |