| 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 |
