RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0013327 | |
|---|---|---|
| RefMet name | N-Acetylgalactosamine | |
| Alternative name | N-Acetyl-D-galactosamine | |
| Systematic name | N-[(3R,4R,5R,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 221.089939 (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 | C8H15NO6 | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 49860 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8?/m1/s1 | |
| InChIKey | OVRNDRQMDRJTHS-KEWYIRBNSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | CC(=O)N[C@@H]1[C@H]([C@H]([C@@H](CO)OC1O)O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
| Chemical/Biochemical Classification | ||
| Super Class | Carbohydrates | |
| Main Class | Monosaccharides | |
| Sub Class | Amino sugars | |
| Distribution of N-Acetylgalactosamine 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 N-Acetylgalactosamine | |
| External Links | ||
| Pubchem CID | 35717 | |
| ChEBI ID | 28037 | |
| KEGG ID | C01074 | |
| HMDB ID | HMDB0000212 | |
| Structural annotation level | ||
| Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) | |
