| SpectraBase Spectrum ID |
50PE9AR66up |
| Name |
N-Acetyl-D-mannosamine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
3615-17-6 |
| ChEBI ID |
17122 |
| Comments |
100 mM N_Acetyl_D_mannosamine - vendor: Sigma a8176; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz
(Data collected by Madison Metabolomics Consortium) |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C8H15NO6 |
| IUPAC Name |
N-[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-methylol-tetrahydropyran-3-yl]acetamide; N-[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide; N-[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide; N-[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide |
| 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-ZTVVOAFPSA-N |
| KEGG Compound ID |
C00645 |
| KEGG Pathways |
PATH: map00530 Aminosugars metabolism |
| PubChem Compound ID |
439281 |
| SMILES |
CC(=O)NC1C(C(C(OC1O)CO)O)O |
| Source File Reference |
bmse000056 |
