RefMet Compound Details
RefMet ID, RefMet name, exact mass and formula | ||
RefMet ID | RM0153395 | |
---|---|---|
RefMet name | Ethyl pentyl ketone | |
Systematic name | Octan-3-one | |
Synonyms | PubChem Synonyms | |
Exact mass | 128.120115 (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 | C8H16O | View other entries in RefMet with this formula |
Molecular descriptors | ||
Molfile | 5461 (Download molfile/View MW Metabolite Database details) | |
InChI | ||
InChIKey | RHLVCLIPMVJYKS-UHFFFAOYSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
SMILES | CCCCCC(=O)CC
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Chemical/Biochemical Classification | ||
Super Class | Fatty Acyls | |
Main Class | Hydrocarbons | |
Sub Class | Oxygenated hydrocarbons | |
Distribution of Ethyl pentyl ketone in NMDR studies | ||
Species | Plot Species distribution | |
Sample source | Plot Sample source(tissue) distribution | |
Studies | NMDR Studies reporting Ethyl pentyl ketone | |
External Links | ||
Pubchem CID | 246728 | |
LIPID MAPS | LMFA12000055 | |
ChEBI ID | 80946 | |
KEGG ID | C17145 | |
HMDB ID | HMDB0031295 | |
Chemspider ID | 215929 | |
Spectral data for Ethyl pentyl ketone standards | ||
MassBank(EU) | View MS spectra | |
Structural annotation level | ||
Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) |