EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C17H31N7O5 |
| Net Charge | 0 |
| Average Mass | 413.479 |
| Monoisotopic Mass | 413.23867 |
| SMILES | NCCCCC(NC(=O)C1CCC(=O)N1)C(=O)NC(CCCN=C(N)N)C(=O)O |
| InChI | InChI=1S/C17H31N7O5/c18-8-2-1-4-10(23-15(27)11-6-7-13(25)22-11)14(26)24-12(16(28)29)5-3-9-21-17(19)20/h10-12H,1-9,18H2,(H,22,25)(H,23,27)(H,24,26)(H,28,29)(H4,19,20,21) |
| InChIKey | PXLXTVRNHALOTB-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Nippostrongylus brasiliensis (ncbitaxon:27835) | Whole Organism (NCIT:C13413) | MetaboLights (MTBLS3486) | |
| Mus musculus (ncbitaxon:10090) | small intestine (BTO:0000651) | MetaboLights (MTBLS3486) | Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424] |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Pyroglu-Lys-Arg (CHEBI:184097) is a oligopeptide (CHEBI:25676) |
| IUPAC Name |
|---|
| 2-[[6-amino-2-[(5-oxopyrrolidine-2-carbonyl)amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid |