RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0150726 | |
|---|---|---|
| RefMet name | n-Octanol | |
| Systematic name | Octan-1-ol | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 130.135765 (neutral) | Calculate m/z:
View other RefMet entries with this exact (neutral) mass: +/- 0.05 amu +/- 0.1 amu +/- 0.2 amu +/- 0.5 amu |
| Formula | C8H18O | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 3220 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3 | |
| InChIKey | KBPLFHHGFOOTCA-UHFFFAOYSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | CCCCCCCCO
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
| Chemical/Biochemical Classification | ||
| Super Class | Fatty Acyls | |
| Main Class | Fatty alcohols | |
| Sub Class | Fatty alcohols | |
| Distribution of n-Octanol in NMDR studies | ||
| Species | Plot Species distribution | |
| Sample source | Plot Sample source(tissue) distribution | |
| Platform | Platform (MS/NMR) used for detection | |
| Chromatography | Chromatography methods used for detection | |
| Studies | NMDR Studies reporting n-Octanol | |
| External Links | ||
| Pubchem CID | 957 | |
| LIPID MAPS | LMFA05000130 | |
| ChEBI ID | 16188 | |
| KEGG ID | C00756 | |
| HMDB ID | HMDB0001183 | |
| Chemspider ID | 932 | |
| MetaCyc ID | OCTANOL | |
| EPA CompTox | DTXCID101940 | |
| NPAtlas DB | NP007602 | |
| Spectral data for n-Octanol standards | ||
| BMRB ID(NMR) | View NMR spectra | |
| NP-MRD ID(NMR) | View NMR spectra | |
| MassBank(EU) | View MS spectra | |
| Structural annotation level | ||
| Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) | |
