EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H30N2O5 |
| Net Charge | 0 |
| Average Mass | 318.414 |
| Monoisotopic Mass | 318.21547 |
| SMILES | COCCOCCCCCC(=O)NCCCC[C@H](N)C(=O)O |
| InChI | InChI=1S/C15H30N2O5/c1-21-11-12-22-10-6-2-3-8-14(18)17-9-5-4-7-13(16)15(19)20/h13H,2-12,16H2,1H3,(H,17,18)(H,19,20)/t13-/m0/s1 |
| InChIKey | NPOCDVAOUKODSQ-ZDUSSCGKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | feces (BTO:0000440) | MetaboLights (MTBLS9100) |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Pegvaliase (CHEBI:230846) is a L-α-amino acid (CHEBI:15705) |
| IUPAC Name |
|---|
| (2S)-2-amino-6-[6-(2-methoxyethoxy)hexanoylamino]hexanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 58172730 | ChemSpider |
| HMDB0304893 | HMDB |