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D-Fructose
SpectraBase Compound ID F3hdyOIwxKW
InChI InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6?/m1/s1
InChIKey RFSUNEUAIZKAJO-VRPWFDPXSA-N
Mol Weight 180.16 g/mol
Molecular Formula C6H12O6
Exact Mass 180.063388 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GI0JM14DKAE
Name D-(-)-Fructose
Acquisition Mode SIMULTANEOUS
CAS Registry Number 53188-23-1
ChEBI ID 15824
Comments 100 mM D(-)Fructose - vendor: Sigma f0127; 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 C6H12O6
IUPAC Name (2R,3S,4R,5R)-2,5-dimethyloltetrahydrofuran-2,3,4-triol; (2R,3S,4R,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol; (2R,3S,4R,5R)-2,5-bis(hydroxymethyl)tetrahydrofuran-2,3,4-triol
InChI InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6?/m1/s1
InChIKey RFSUNEUAIZKAJO-VRPWFDPXSA-N
KEGG Compound ID C00095
KEGG Pathways PATH: map00051 Fructose and mannose metabolism PATH: map00052 Galactose metabolism PATH: map00500 Starch and sucrose metabolism PATH: map02060 Phosphotransferase system (PTS)
PubChem Compound ID 439709
SMILES C(C1C(C(C(O1)(CO)O)O)O)O
Source File Reference bmse000010