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CHEBI:37946 - dopamine 3-O-sulfate
| Formula | C8H11NO5S |
| Net Charge | 0 |
| Average Mass | 233.245 |
| Monoisotopic Mass | 233.03579 |
| SMILES | NCCc1ccc(O)c(OS(=O)(=O)O)c1 |
| InChI | InChI=1S/C8H11NO5S/c9-4-3-6-1-2-7(10)8(5-6)14-15(11,12)13/h1-2,5,10H,3-4,9H2,(H,11,12,13) |
| InChIKey | NZKRYJGNYPYXJZ-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| - | DOI (10.1038/nbt.2488) | ||
| urine (BTO:0001419) | PubMed (4055948) | ||
| blood (UBERON:0000178) | PubMed (4055948) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. human blood serum metabolite Any metabolite (endogenous or exogenous) found in human blood serum samples. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| dopamine 3-O-sulfate (CHEBI:37946) has functional parent dopamine (CHEBI:18243) |
| dopamine 3-O-sulfate (CHEBI:37946) has role human blood serum metabolite (CHEBI:85234) |
| dopamine 3-O-sulfate (CHEBI:37946) has role human urinary metabolite (CHEBI:84087) |
| dopamine 3-O-sulfate (CHEBI:37946) is a aryl sulfate (CHEBI:37919) |
| dopamine 3-O-sulfate (CHEBI:37946) is a phenols (CHEBI:33853) |
| dopamine 3-O-sulfate (CHEBI:37946) is a primary amino compound (CHEBI:50994) |
| dopamine 3-O-sulfate (CHEBI:37946) is tautomer of dopamine 3-O-sulfate zwitterion (CHEBI:133524) |
| Incoming Relation(s) |
| dopamine 3-O-sulfate zwitterion (CHEBI:133524) is tautomer of dopamine 3-O-sulfate (CHEBI:37946) |
| IUPAC Name |
|---|
| 5-(2-aminoethyl)-2-hydroxyphenyl hydrogen sulfate |
| Synonyms | Source |
|---|---|
| 4-(2-aminoethyl)-1,2-benzenediol 2-(hydrogen sulfate) | ChemIDplus |
| Dopamine 3-O-sulfate | KEGG COMPOUND |
| Dopamine 3-sulfate | KEGG COMPOUND |
| [5-(2-aminoethyl)-2-hydroxyphenyl]oxidanesulfonic acid | HMDB |
| dopamine 3-monosulfate | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C13690 | KEGG COMPOUND |
| HMDB0006275 | HMDB |
| CPD-7649 | MetaCyc |
| LSM-37139 | LINCS |
| Registry Numbers | Sources |
|---|---|
| Reaxys:2738155 | Reaxys |
| CAS:51317-41-0 | ChemIDplus |
| CAS:51317-41-0 | KEGG COMPOUND |
| Citations |
|---|