EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C9H16N2O5S |
| Net Charge | 0 |
| Average Mass | 264.303 |
| Monoisotopic Mass | 264.07799 |
| SMILES | CSCC(NC(=O)CCC(N)C(=O)O)C(=O)O |
| InChI | InChI=1S/C9H16N2O5S/c1-17-4-6(9(15)16)11-7(12)3-2-5(10)8(13)14/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16) |
| InChIKey | UPCDLBPYWXOCOK-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-Glutamyl-S-methylcysteine (CHEBI:168622) is a dipeptide (CHEBI:46761) |
| IUPAC Name |
|---|
| 2-amino-5-[(1-carboxy-2-methylsulanylethyl)amino]-5-oxopentanoic acid |
| Manual Xrefs | Databases |
|---|---|
| HMDB0031985 | HMDB |
| 13512618 | ChemSpider |