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CHEBI:165516 - heptan-4-ol
| Formula | C7H16O |
| Net Charge | 0 |
| Average Mass | 116.204 |
| Monoisotopic Mass | 116.12012 |
| SMILES | CCCC(O)CCC |
| InChI | InChI=1S/C7H16O/c1-3-5-7(8)6-4-2/h7-8H,3-6H2,1-2H3 |
| InChIKey | YVBCULSIZWMTFY-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Albophoma sp. (ncbitaxon:2989499) | - | DOI (10.1016/j.sajb.2023.05.033) | Strain: BAPR5 |
| Glycine max (ncbitaxon:3847) | - | PubMed (32050669) |
| Roles Classification |
|---|
| Biological Roles: | fungal metabolite Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| heptan-4-ol (CHEBI:165516) has role fungal metabolite (CHEBI:76946) |
| heptan-4-ol (CHEBI:165516) has role plant metabolite (CHEBI:76924) |
| heptan-4-ol (CHEBI:165516) has role rat metabolite (CHEBI:86264) |
| heptan-4-ol (CHEBI:165516) is a heptanol (CHEBI:195607) |
| heptan-4-ol (CHEBI:165516) is a secondary alcohol (CHEBI:35681) |
| IUPAC Name |
|---|
| heptan-4-ol |
| Synonyms | Source |
|---|---|
| 4-heptanol | NIST Chemistry WebBook |
| heptanol-4 | NIST Chemistry WebBook |
| dipropylcarbinol | NIST Chemistry WebBook |
| n-heptan-4-ol | NIST Chemistry WebBook |
| di-n-propylcarbinol | NIST Chemistry WebBook |
| 4-heptyl alcohol | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 11029 | ChemSpider |
| LMFA05000484 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1731665 | Reaxys |
| CAS:589-55-9 | NIST Chemistry WebBook |
| Citations |
|---|