EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C17H24N4O7 |
| Net Charge | 0 |
| Average Mass | 396.400 |
| Monoisotopic Mass | 396.16450 |
| SMILES | CC(O)C(NC(=O)CNC(=O)CN)C(=O)NC(Cc1ccc(O)cc1)C(=O)O |
| InChI | InChI=1S/C17H24N4O7/c1-9(22)15(21-14(25)8-19-13(24)7-18)16(26)20-12(17(27)28)6-10-2-4-11(23)5-3-10/h2-5,9,12,15,22-23H,6-8,18H2,1H3,(H,19,24)(H,20,26)(H,21,25)(H,27,28) |
| InChIKey | NEDQVOQDDBCRGG-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | pancreas (BTO:0000988) | MetaboLights (MTBLS1925) | Strain: PANC-1 cell [BCGO:0000122] |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Gly-Gly-Thr-Tyr (CHEBI:180616) is a tetrapeptide (CHEBI:48030) |
| IUPAC Name |
|---|
| 2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 16635056 | ChemSpider |