EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C11H19N3O7S |
| Net Charge | 0 |
| Average Mass | 337.354 |
| Monoisotopic Mass | 337.09437 |
| SMILES | NC(CCC(=O)NC(CS)C(=O)NC(CO)C(=O)O)C(=O)O |
| InChI | InChI=1S/C11H19N3O7S/c12-5(10(18)19)1-2-8(16)13-7(4-22)9(17)14-6(3-15)11(20)21/h5-7,15,22H,1-4,12H2,(H,13,16)(H,14,17)(H,18,19)(H,20,21) |
| InChIKey | QWHVIVGONDEFNH-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) |
| gamma-Glutamylcysteinylserine (CHEBI:168870) is a peptide (CHEBI:16670) |
| IUPAC Name |
|---|
| 2-amino-5-[[1-[(1-carboxy-2-hydroxyethyl)amino]-1-oxo-3-sulanylpropan-2-yl]amino]-5-oxopentanoic acid |
| Manual Xrefs | Databases |
|---|---|
| HMDB0039733 | HMDB |
| 11595881 | ChemSpider |