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CHEBI:80946 - 3-octanone
| Formula | C8H16O |
| Net Charge | 0 |
| Average Mass | 128.215 |
| Monoisotopic Mass | 128.12012 |
| SMILES | CCCCCC(=O)CC |
| InChI | InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3 |
| InChIKey | RHLVCLIPMVJYKS-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| saliva (UBERON:0001836) | PubMed (24421258) | ||
| faeces (UBERON:0001988) | PubMed (21970810) | ||
| urine (BTO:0001419) | PubMed (21255593) | ||
| Carinostoma carinatum (ncbitaxon:673238) | - | PubMed (24634568) | |
| Marchantia polymorpha (ncbitaxon:3197) | - | PubMed (25174554) | |
| Melanogaster broomeanus (ncbitaxon:85974) | - | PubMed (25103776) | |
| Hymenogaster luteus var. luteus (ncbitaxon:947188) | - | PubMed (25103776) | |
| Octavianina asterosperma (ncbitaxon:388861) | - | PubMed (25103776) | |
| Pleurotus abalonus (ncbitaxon:47962) | - | PubMed (26567951) | |
| Lathyrus sativus (ncbitaxon:3860) | seed (BTO:0001226) | PubMed (25524148) | |
| Pleurotus ostreatus (ncbitaxon:5322) | - | PubMed (26567951) | |
| Pleurotus eryngii (ncbitaxon:5323) | - | PubMed (26567951) | |
| Tuber liyuanum (ncbitaxon:1255164) | - | PubMed (27829300) | |
| Schizonepeta (ncbitaxon:135199) | - | PubMed (28901104) | |
| Flammulina velutipes (ncbitaxon:38945) | - | PubMed (26593566) |
| Roles Classification |
|---|
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. toxin Poisonous substance produced by a biological organism such as a microbe, animal or plant. human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. fungal metabolite Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds. insect attractant A chemical that attracts insects. |
| Applications: | antifeedant A substance that prevents pests from feeding. biomarker A substance used as an indicator of a biological state. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-octanone (CHEBI:80946) has parent hydride octane (CHEBI:17590) |
| 3-octanone (CHEBI:80946) has role antifeedant (CHEBI:22583) |
| 3-octanone (CHEBI:80946) has role biomarker (CHEBI:59163) |
| 3-octanone (CHEBI:80946) has role fungal metabolite (CHEBI:76946) |
| 3-octanone (CHEBI:80946) has role human urinary metabolite (CHEBI:84087) |
| 3-octanone (CHEBI:80946) has role insect attractant (CHEBI:24850) |
| 3-octanone (CHEBI:80946) has role plant metabolite (CHEBI:76924) |
| 3-octanone (CHEBI:80946) has role toxin (CHEBI:27026) |
| 3-octanone (CHEBI:80946) is a dialkyl ketone (CHEBI:18044) |
| IUPAC Name |
|---|
| octan-3-one |
| Synonyms | Source |
|---|---|
| 3-Oxooctane | NIST Chemistry WebBook |
| Ethyl pentyl ketone | ChemIDplus |
| Ethyl n-pentyl ketone | ChemIDplus |
| n-Amyl ethyl ketone | HMDB |
| Ethyl n-amyl ketone | ChemIDplus |
| Amyl ethyl ketone | HMDB |
| UniProt Name | Source |
|---|---|
| octan-3-one | UniProt |
| Manual Xrefs | Databases |
|---|---|
| C17145 | KEGG COMPOUND |
| HMDB0031295 | HMDB |
| C00034765 | KNApSAcK |
| 3-Octanone | Wikipedia |
| LMFA12000055 | LIPID MAPS |
| FDB005050 | FooDB |
| Citations |
|---|