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CHEBI:171937 - 5-Pentyl-1,4-dioxan-2-one
| Formula | C9H16O3 |
| Net Charge | 0 |
| Average Mass | 172.224 |
| Monoisotopic Mass | 172.10994 |
| SMILES | CCCCCC1COC(=O)CO1 |
| InChI | InChI=1S/C9H16O3/c1-2-3-4-5-8-6-12-9(10)7-11-8/h8H,2-7H2,1H3 |
| InChIKey | AYJJZBHSZOCJJX-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| Pooled sample (NCIT:C45910) | MetaboLights (MTBLS2128) | ||
| blood plasma (BTO:0000131) | MetaboLights (MTBLS2128) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-Pentyl-1,4-dioxan-2-one (CHEBI:171937) is a dioxanes (CHEBI:46926) |
| IUPAC Name |
|---|
| 5-pentyl-1,4-dioxan-2-one |
| Manual Xrefs | Databases |
|---|---|
| 26534494 | ChemSpider |
| HMDB0059936 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:93263-93-5 | ChemIDplus |