EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H31N7O8S |
| Net Charge | 0 |
| Average Mass | 505.554 |
| Monoisotopic Mass | 505.19548 |
| SMILES | CSCCC(NC(=O)C(N)CC(N)=O)C(=O)NC(CC(N)=O)C(=O)NC(CCC(N)=O)C(=O)O |
| InChI | InChI=1S/C18H31N7O8S/c1-34-5-4-9(23-15(29)8(19)6-13(21)27)16(30)25-11(7-14(22)28)17(31)24-10(18(32)33)2-3-12(20)26/h8-11H,2-7,19H2,1H3,(H2,20,26)(H2,21,27)(H2,22,28)(H,23,29)(H,24,31)(H,25,30)(H,32,33) |
| InChIKey | DMRUJUFCPVHHKP-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) |
| Asn-Met-Asn-Gln (CHEBI:183115) is a tetrapeptide (CHEBI:48030) |
| IUPAC Name |
|---|
| 5-amino-2-[[4-amino-2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-4-methylsulanylbutanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 16596878 | ChemSpider |