EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C13H18N2O6S |
| Net Charge | 0 |
| Average Mass | 330.362 |
| Monoisotopic Mass | 330.08856 |
| SMILES | NCCCC/N=C(O)/C=C/c1ccc(O)c(OS(=O)(=O)O)c1 |
| InChI | InChI=1S/C13H18N2O6S/c14-7-1-2-8-15-13(17)6-4-10-3-5-11(16)12(9-10)21-22(18,19)20/h3-6,9,16H,1-2,7-8,14H2,(H,15,17)(H,18,19,20)/b6-4+ |
| InChIKey | LJYOEYSCGNZHMC-GQCTYLIASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | feces (BTO:0000440) | MetaboLights (MTBLS5335) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(4-aminobutyl)-3-[4-hydroxy-3-(sulfooxy)phenyl]prop-2-enimidic acid (CHEBI:193524) is a aryl sulfate (CHEBI:37919) |