EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C8H11NO4S |
| Net Charge | 0 |
| Average Mass | 217.246 |
| Monoisotopic Mass | 217.04088 |
| SMILES | NCCc1ccc(OS(=O)(=O)O)cc1 |
| InChI | InChI=1S/C8H11NO4S/c9-6-5-7-1-3-8(4-2-7)13-14(10,11)12/h1-4H,5-6,9H2,(H,10,11,12) |
| InChIKey | DYDUXGMDSXJQFT-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | urine (BTO:0001419) | PubMed (8432957) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| tyramine sulfate (CHEBI:133530) has functional parent tyramine (CHEBI:15760) |
| tyramine sulfate (CHEBI:133530) has role human urinary metabolite (CHEBI:84087) |
| tyramine sulfate (CHEBI:133530) has role human xenobiotic metabolite (CHEBI:76967) |
| tyramine sulfate (CHEBI:133530) is a aryl sulfate (CHEBI:37919) |
| tyramine sulfate (CHEBI:133530) is a primary amino compound (CHEBI:50994) |
| tyramine sulfate (CHEBI:133530) is tautomer of tyramine sulfate zwitterion (CHEBI:133531) |
| Incoming Relation(s) |
| tyramine sulfate zwitterion (CHEBI:133531) is tautomer of tyramine sulfate (CHEBI:133530) |
| IUPAC Name |
|---|
| 4-(2-aminoethyl)phenyl hydrogen sulfate |
| Synonyms | Source |
|---|---|
| [4-(2-aminoethyl)phenyl]oxidanesulfonic acid | HMDB |
| tyramine O-sulfate | ChEBI |
| tyramine O-sulphate | ChEBI |
| tyramine sulphate | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| HMDB0006409 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:30223-92-8 | ChemIDplus |
| Citations |
|---|