EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C25H29N5O7 |
| Net Charge | 0 |
| Average Mass | 511.535 |
| Monoisotopic Mass | 511.20670 |
| SMILES | NC(CO)C(=O)NCC(=O)NC(Cc1cnc2ccccc12)C(=O)NC(Cc1ccc(O)cc1)C(=O)O |
| InChI | InChI=1S/C25H29N5O7/c26-18(13-31)23(34)28-12-22(33)29-20(10-15-11-27-19-4-2-1-3-17(15)19)24(35)30-21(25(36)37)9-14-5-7-16(32)8-6-14/h1-8,11,18,20-21,27,31-32H,9-10,12-13,26H2,(H,28,34)(H,29,33)(H,30,35)(H,36,37) |
| InChIKey | UJTVWLNMFSYGTA-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) |
| Ser-Gly-Trp-Tyr (CHEBI:180576) is a tetrapeptide (CHEBI:48030) |
| IUPAC Name |
|---|
| 2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 16698867 | ChemSpider |