EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C9H19N3O3S |
| Net Charge | 0 |
| Average Mass | 249.336 |
| Monoisotopic Mass | 249.11471 |
| SMILES | NCCCCC(N)C(=O)NC(CS)C(=O)O |
| InChI | InChI=1S/C9H19N3O3S/c10-4-2-1-3-6(11)8(13)12-7(5-16)9(14)15/h6-7,16H,1-5,10-11H2,(H,12,13)(H,14,15) |
| InChIKey | QBGPXOGXCVKULO-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Lysyl-Cysteine (CHEBI:168293) is a dipeptide (CHEBI:46761) |
| IUPAC Name |
|---|
| 2-(2,6-diaminohexanoylamino)-3-sulanylpropanoic acid |
| Manual Xrefs | Databases |
|---|---|
| HMDB0028948 | HMDB |
| 16568338 | ChemSpider |