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D-Saccharate
SpectraBase Compound ID 63Ark9qRlII
InChI InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m0/s1
InChIKey DSLZVSRJTYRBFB-LLEIAEIESA-N
Mol Weight 210.14 g/mol
Molecular Formula C6H10O8
Exact Mass 210.037567 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3gR8wgHHdkn
Name D-Saccharate
Acquisition Mode SIMULTANEOUS
CAS Registry Number 87-73-0
ChEBI ID 30612
Comments 100 mM D-Saccharate, potassium hydrogen - 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 C6H10O8
IUPAC Name (2R,3S,4S,5S)-2,3,4,5-tetrahydroxyadipic acid; (2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioic acid; 2,3,4,5-tetrahydroxyhexanedioic acid
InChI InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m0/s1
InChIKey DSLZVSRJTYRBFB-LLEIAEIESA-N
KEGG Compound ID C00818
KEGG Pathways PATH: map00053 Ascorbate and aldarate metabolism
PubChem Compound ID 33037
SMILES C(C(C(C(=O)O)O)O)(C(C(=O)O)O)O
Source File Reference bmse000239