RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0155938 | |
|---|---|---|
| RefMet name | Mannitol | |
| Systematic name | (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 182.079040 (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 | C6H14O6 | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 37414 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1 | |
| InChIKey | FBPFZTCFMRRESA-KVTDHHQDSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | C([C@H]([C@H]([C@@H]([C@@H](CO)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 Mannitol 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 Mannitol | |
| External Links | ||
| Pubchem CID | 6251 | |
| ChEBI ID | 16899 | |
| KEGG ID | C00392 | |
| HMDB ID | HMDB0000765 | |
| Chemspider ID | 6015 | |
| MetaCyc ID | MANNITOL | |
| EPA CompTox | DTXCID10208858 | |
| Spectral data for Mannitol 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) | |
