| SpectraBase Spectrum ID |
aTpE9S0wu3 |
| Name |
N-Acetyl-D-glucosamine 1-phosphate |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
31281-59-1 |
| Comments |
100 mM N-Acetyl-alpha-D-glucosamine 1-phosphate disodium salt - vendor: Sigma A-2142; 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 |
(3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl)oxyphosphonic acid; [3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphonic acid; [3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphosphonic acid |
| InChI |
InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6-,7-,8?/m1/s1 |
| InChIKey |
FZLJPEPAYPUMMR-RTRLPJTCSA-N |
| KEGG Compound ID |
C04256 |
| KEGG Pathways |
PATH: map00530 Aminosugars metabolism |
| PubChem Compound ID |
900 |
| SMILES |
CC(=O)NC1C(C(C(OC1OP(=O)(O)O)CO)O)O |
| Source File Reference |
bmse000163 |
