EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C12H21N3O6 |
| Net Charge | 0 |
| Average Mass | 303.315 |
| Monoisotopic Mass | 303.14304 |
| SMILES | CC(=O)NCCCC(NC(=O)CCC(N)C(=O)O)C(=O)O |
| InChI | InChI=1S/C12H21N3O6/c1-7(16)14-6-2-3-9(12(20)21)15-10(17)5-4-8(13)11(18)19/h8-9H,2-6,13H2,1H3,(H,14,16)(H,15,17)(H,18,19)(H,20,21) |
| InChIKey | JAAJGIIASALJIT-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine (CHEBI:168581) is a dipeptide (CHEBI:46761) |
| IUPAC Name |
|---|
| 5-[(4-acetamido-1-carboxybutyl)amino]-2-amino-5-oxopentanoic acid |
| Manual Xrefs | Databases |
|---|---|
| HMDB0039423 | HMDB |
| 35014796 | ChemSpider |