EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C11H18N2O4 |
| Net Charge | 0 |
| Average Mass | 242.275 |
| Monoisotopic Mass | 242.12666 |
| SMILES | CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)O |
| InChI | InChI=1S/C11H18N2O4/c1-6(2)5-8(11(16)17)13-10(15)7-3-4-9(14)12-7/h6-8H,3-5H2,1-2H3,(H,12,14)(H,13,15)(H,16,17)/t7-,8-/m0/s1 |
| InChIKey | XXSAFGVAPGOYNT-YUMQZZPRSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | urine (BTO:0001419) | MetaboLights (MTBLS2295) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Pyroglutamylleucine (CHEBI:176450) is a dipeptide (CHEBI:46761) |
| IUPAC Name |
|---|
| (2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 134332 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| CAS:21282-11-1 | ChemIDplus |