RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0021468 | |
|---|---|---|
| RefMet name | Acetohexamide | |
| Systematic name | 1-[(4-acetylbenzene)sulfonyl]-3-cyclohexylurea | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 324.114380 (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 | C15H20N2O4S | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 42774 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C15H20N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,19) | |
| InChIKey | VGZSUPCWNCWDAN-UHFFFAOYSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
| Chemical/Biochemical Classification | ||
| Super Class | Benzenoids | |
| Main Class | Benzenes | |
| Sub Class | Benzenesulfonyl compounds | |
| Distribution of Acetohexamide 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 Acetohexamide | |
| External Links | ||
| Pubchem CID | 1989 | |
| ChEBI ID | 28052 | |
| KEGG ID | C06806 | |
| HMDB ID | HMDB0014558 | |
| Chemspider ID | 1912 | |
| EPA CompTox | DTXCID707 | |
| Spectral data for Acetohexamide standards | ||
| MassBank(EU) | View MS spectra | |
| Structural annotation level | ||
| Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) | |
