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D-Xylonate
SpectraBase Compound ID 8cJyT2IZxlz
InChI InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)
InChIKey QXKAIJAYHKCRRA-UHFFFAOYSA-N
Mol Weight 166.13 g/mol
Molecular Formula C5H10O6
Exact Mass 166.047738 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1tvQjzv4mZc
Name D-Xylonate
Acquisition Mode SIMULTANEOUS
CAS Registry Number 526-91-0
ChEBI ID 17746
Comments saturated N/A D-Xylonate cadmium - vendor: ?; 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 C5H10O6
IUPAC Name 2,3,4,5-tetrahydroxypentanoic acid
InChI InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)
InChIKey QXKAIJAYHKCRRA-UHFFFAOYSA-N
KEGG Compound ID C00502
KEGG Pathways PATH: map00040 Pentose and glucuronate interconversions
PubChem Compound ID 10264
SMILES C(C(C(C(C(=O)O)O)O)O)O
Source File Reference bmse000166