RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0013490 | |
|---|---|---|
| RefMet name | Galactonic acid | |
| Systematic name | (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 196.058305 (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 | C6H12O7 | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 37311 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4+,5-/m1/s1 | |
| InChIKey | RGHNJXZEOKUKBD-MGCNEYSASA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | C([C@H]([C@@H]([C@@H]([C@H](C(=O)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 acids | |
| Distribution of Galactonic acid 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 Galactonic acid | |
| External Links | ||
| Pubchem CID | 128869 | |
| ChEBI ID | 16534 | |
| KEGG ID | C00880 | |
| HMDB ID | HMDB0000565 | |
| Chemspider ID | 114198 | |
| MetaCyc ID | D-GALACTONATE | |
| Spectral data for Galactonic acid standards | ||
| NP-MRD ID(NMR) | View NMR spectra | |
| Structural annotation level | ||
| Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) | |
