EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C16H21N3O3S |
| Net Charge | 0 |
| Average Mass | 335.429 |
| Monoisotopic Mass | 335.13036 |
| SMILES | CSCCC(NC(=O)C(N)Cc1cnc2ccccc12)C(=O)O |
| InChI | InChI=1S/C16H21N3O3S/c1-23-7-6-14(16(21)22)19-15(20)12(17)8-10-9-18-13-5-3-2-4-11(10)13/h2-5,9,12,14,18H,6-8,17H2,1H3,(H,19,20)(H,21,22) |
| InChIKey | BVZABQIRMYTKCF-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| synthetic microbial community (ncbitaxon:3229850) | Whole Organism (NCIT:C13413) | MetaboLights (MTBLS3129) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Tryptophyl-Methionine (CHEBI:193877) is a peptide (CHEBI:16670) |
| IUPAC Name |
|---|
| 2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulanylbutanoic acid |
| Manual Xrefs | Databases |
|---|---|
| HMDB0029089 | HMDB |
| 14402646 | ChemSpider |