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D-Glucosamine
SpectraBase Compound ID 1ZikTHFImk3
InChI InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6?/m1/s1
InChIKey MSWZFWKMSRAUBD-IVMDWMLBSA-N
Mol Weight 179.17 g/mol
Molecular Formula C6H13NO5
Exact Mass 179.079373 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GKMYUAXSxxk
Name D-Glucosamine
Acquisition Mode SIMULTANEOUS
CAS Registry Number 3416-24-8 2351-15-7 58-87-7 58267-75-7
ChEBI ID 17315
Comments 100 mM D-Glucosamine hydrochloride - vendor: Acros 119900100; 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 C6H13NO5
IUPAC Name (2R,3R,4R,5S,6R)-3-amino-6-methylol-tetrahydropyran-2,4,5-triol; (2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol; (2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)tetrahydropyran-2,4,5-triol
InChI InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6?/m1/s1
InChIKey MSWZFWKMSRAUBD-IVMDWMLBSA-N
KEGG Compound ID C00329
KEGG Pathways PATH: map00530 Aminosugars metabolism PATH: map02060 Phosphotransferase system (PTS)
PubChem Compound ID 18897
SMILES C(C1C(C(C(C(O1)O)N)O)O)O
Source File Reference bmse000247