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D(-)-Tagatose
SpectraBase Compound ID B7MDZnnLYs7
InChI InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5+,6?/m1/s1
InChIKey LKDRXBCSQODPBY-OEXCPVAWSA-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 5I6n0cfIK4u
Name D-(-)-Tagatose
Acquisition Mode SIMULTANEOUS
CAS Registry Number 87-81-0
ChEBI ID 16443
Comments 100 mM d-(-) tagatose - vendor: Sigma T2751; 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 (3S,4S,5R)-2-methyloltetrahydropyran-2,3,4,5-tetrol; (3S,4S,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol; (3S,4S,5R)-2-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol
InChI InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5+,6?/m1/s1
InChIKey LKDRXBCSQODPBY-OEXCPVAWSA-N
KEGG Compound ID C00795
KEGG Pathways PATH: map00052 Galactose metabolism
PubChem Compound ID 439312
SMILES C1C(C(C(C(O1)(CO)O)O)O)O
Source File Reference bmse000023