RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0157103 | |
|---|---|---|
| RefMet name | Sucralose | |
| Systematic name | 1,6-Dichloro-1,6-dideoxy-beta-D-fructofuranosyl 4-chloro-4-deoxy-alpha-D-galactopyranoside | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 396.014554 (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 | C12H19Cl3O8 | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 67858 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,1 1-,12+/m1/s1 | |
| InChIKey | BAQAVOSOZGMPRM-QBMZZYIRSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | C([C@@H]1[C@H]([C@@H]([C@@](CCl)(O1)O[C@@H]1[C@@H]([C@H]([C@H]([C@@H](CO)O1)Cl)O)O)O)O)Cl
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
| Chemical/Biochemical Classification | ||
| Super Class | Carbohydrates | |
| Main Class | Disaccharides | |
| Sub Class | Disaccharides | |
| Distribution of Sucralose 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 Sucralose | |
| External Links | ||
| Pubchem CID | 71485 | |
| ChEBI ID | 32159 | |
| KEGG ID | C12285 | |
| HMDB ID | HMDB0031554 | |
| EPA CompTox | DTXCID00209612 | |
| Spectral data for Sucralose standards | ||
| MassBank(EU) | View MS spectra | |
| Structural annotation level | ||
| Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) | |
