EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C11H18N4O4S |
| Net Charge | 0 |
| Average Mass | 302.356 |
| Monoisotopic Mass | 302.10488 |
| SMILES | CS(=O)CCC(NC(=O)C(N)Cc1cncn1)C(=O)O |
| InChI | InChI=1S/C11H18N4O4S/c1-20(19)3-2-9(11(17)18)15-10(16)8(12)4-7-5-13-6-14-7/h5-6,8-9H,2-4,12H2,1H3,(H,13,14)(H,15,16)(H,17,18) |
| InChIKey | UENODEYVPZHDOT-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | small intestine (BTO:0000651) | MetaboLights (MTBLS3486) | Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424] |
| Nippostrongylus brasiliensis (ncbitaxon:27835) | Whole Organism (NCIT:C13413) | MetaboLights (MTBLS3486) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| His-Met(o) (CHEBI:184054) is a dipeptide (CHEBI:46761) |
| IUPAC Name |
|---|
| 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylsulinylbutanoic acid |