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L-Gulonolactone
SpectraBase Compound ID BqNzmCpnuCn
InChI InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3+,4-,5+/m0/s1
InChIKey SXZYCXMUPBBULW-SKNVOMKLSA-N
Mol Weight 178.14 g/mol
Molecular Formula C6H10O6
Exact Mass 178.047738 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KvZPryJ6HK2
Name L-Gulonolactone
Acquisition Mode SIMULTANEOUS
CAS Registry Number 1128-23-0
Comments 100 mM L-Gulonolactone - vendor: Nitritional Biochemical; 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 C6H10O6
IUPAC Name (3S,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-oxolan-2-one; (3S,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-one
InChI InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3+,4-,5+/m0/s1
InChIKey SXZYCXMUPBBULW-SKNVOMKLSA-N
KEGG Compound ID C01040
KEGG Pathways PATH: map00053 Ascorbate and aldarate metabolism
PubChem Compound ID 439373
SMILES C(C(C1C(C(C(=O)O1)O)O)O)O
Source File Reference bmse000235