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CHEBI:88682 - 4-Hydroxy-5-(3'-hydroxyphenyl)-valeric acid-3'-O-sulphate
| Formula | C11H14O7S |
| Net Charge | 0 |
| Average Mass | 290.293 |
| Monoisotopic Mass | 290.04602 |
| SMILES | O=C(O)CCC(O)Cc1cccc(OS(=O)(=O)O)c1 |
| InChI | InChI=1S/C11H14O7S/c12-9(4-5-11(13)14)6-8-2-1-3-10(7-8)18-19(15,16)17/h1-3,7,9,12H,4-6H2,(H,13,14)(H,15,16,17) |
| InChIKey | DMBFBGLRQKIWGT-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | urine (BTO:0001419) | PubMed (22827565) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-Hydroxy-5-(3'-hydroxyphenyl)-valeric acid-3'-O-sulphate (CHEBI:88682) is a alkyl sulfate (CHEBI:29281) |
| 4-Hydroxy-5-(3'-hydroxyphenyl)-valeric acid-3'-O-sulphate (CHEBI:88682) is a fatty acid derivative (CHEBI:61697) |
| Synonym | Source |
|---|---|
| 4-hydroxy-5-[3-(sulfooxy)phenyl]pentanoic acid | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0059975 | HMDB |
| Citations |
|---|