| SpectraBase Spectrum ID |
IfeKlcGMxjA |
| Name |
N-Acetyl-D-glucosamine 6-phosphate |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
102029-88-9 |
| Comments |
100 mM N-Acetyl-D-glucosamine 6-phosphate disodium salt - vendor: Sigma 054K7024; 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 |
C8H16NO9P |
| IUPAC Name |
(5-acetamido-3,4,6-trihydroxy-oxan-2-yl)methoxyphosphonic acid; (5-acetamido-3,4,6-trihydroxy-tetrahydropyran-2-yl)methoxyphosphonic acid |
| InChI |
InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16) |
| InChIKey |
BRGMHAYQAZFZDJ-UHFFFAOYSA-N |
| PubChem Compound ID |
898 |
| SMILES |
CC(=O)NC1C(C(C(OC1O)COP(=O)(O)O)O)O |
| Source File Reference |
bmse000205 |
