| SpectraBase Spectrum ID |
2XuRoz1jqqC |
| Name |
Methyl N-acetyl-alpha-D-glucosaminide |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
6082-04-8 |
| Comments |
100 mM Methyl N-acetyl-alpha-D-glucosaminide - vendor: Sigma 094K1696; 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 |
C9H17NO6 |
| IUPAC Name |
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2-methoxy-6-methylol-tetrahydropyran-3-yl]acetamide; N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy-oxan-3-yl]ethanamide; N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy-oxan-3-yl]acetamide; N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy-tetrahydropyran-3-yl]acetamide |
| InChI |
InChI=1S/C9H17NO6/c1-4(12)10-6-8(14)7(13)5(3-11)16-9(6)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9+/m1/s1 |
| InChIKey |
ZEVOCXOZYFLVKN-OKNNCHMLSA-N |
| PubChem Compound ID |
96523 |
| SMILES |
CC(=O)NC1C(C(C(OC1OC)CO)O)O |
| Source File Reference |
bmse000196 |
