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N-Acetyl-D-glucosamine 1-phosphate
SpectraBase Compound ID 4dEWcjZOKGb
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
Mol Weight 301.19 g/mol
Molecular Formula C8H16NO9P
Exact Mass 301.056268 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I33hQSD8KtC
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