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CHEBI:168872 - 4-(sulfooxy)butanoic acid
| Formula | C4H8O6S |
| Net Charge | 0 |
| Average Mass | 184.169 |
| Monoisotopic Mass | 184.00416 |
| SMILES | O=C(O)CCCOS(=O)(=O)O |
| InChI | InChI=1S/C4H8O6S/c5-4(6)2-1-3-10-11(7,8)9/h1-3H2,(H,5,6)(H,7,8,9) |
| InChIKey | DCJFAGMVTNNMBV-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-(sulfooxy)butanoic acid (CHEBI:168872) is a alkyl sulfate (CHEBI:29281) |
| 4-(sulfooxy)butanoic acid (CHEBI:168872) is a fatty acid derivative (CHEBI:61697) |
| IUPAC Name |
|---|
| 4-sulooxybutanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 74852765 | ChemSpider |
| HMDB0130134 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:16899-85-7 | ChemIDplus |