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N-Acetyl-D-glucosamine 6-phosphate
SpectraBase Compound ID EILTqPXRGkf
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
Mol Weight 301.19 g/mol
Molecular Formula C8H16NO9P
Exact Mass 301.056268 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 80lEx5MG6bp
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