RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0050050 | |
|---|---|---|
| RefMet name | Lactitol | |
| Systematic name | 4-O-beta-D-Galactopyranosyl-D-glucitol | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 344.131865 (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 | C12H24O11 | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 71630 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2/t4-,5+,6+,7+,8-,9-,10+,11+,12-/m0/ s1 | |
| InChIKey | VQHSOMBJVWLPSR-JVCRWLNRSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](CO)O1)O)O)O)O)O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
| Chemical/Biochemical Classification | ||
| Super Class | Carbohydrates | |
| Main Class | Monosaccharides | |
| Sub Class | Sugar alcohols | |
| Distribution of Lactitol 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 Lactitol | |
| External Links | ||
| Pubchem CID | 157355 | |
| ChEBI ID | 75323 | |
| HMDB ID | HMDB0040937 | |
| MetaCyc ID | CPD0-2460 | |
| EPA CompTox | DTXCID10197197 | |
| Spectral data for Lactitol standards | ||
| MassBank(EU) | View MS spectra | |
| Structural annotation level | ||
| Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) | |
