EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C9H16N2O6 |
| Net Charge | 0 |
| Average Mass | 248.235 |
| Monoisotopic Mass | 248.10084 |
| SMILES | C[C@H](O)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)O |
| InChI | InChI=1S/C9H16N2O6/c1-4(12)7(9(16)17)11-8(15)5(10)2-3-6(13)14/h4-5,7,12H,2-3,10H2,1H3,(H,11,15)(H,13,14)(H,16,17)/t4-,5-,7-/m0/s1 |
| InChIKey | JSIQVRIXMINMTA-VPLCAKHXSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | blood plasma (BTO:0000131) | MetaboLights (MTBLS2633) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Glutamyl-Threonine (CHEBI:172487) is a dipeptide (CHEBI:46761) |
| IUPAC Name |
|---|
| (4S)-4-amino-5-[[(1S,2S)-1-carboxy-2-hydroxypropyl]amino]-5-oxopentanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 57564112 | ChemSpider |