| SpectraBase Spectrum ID |
GI0JM14DKAE |
| Name |
D-(-)-Fructose |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
53188-23-1 |
| ChEBI ID |
15824 |
| Comments |
100 mM D(-)Fructose - vendor: Sigma f0127; 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 |
(2R,3S,4R,5R)-2,5-dimethyloltetrahydrofuran-2,3,4-triol; (2R,3S,4R,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol; (2R,3S,4R,5R)-2,5-bis(hydroxymethyl)tetrahydrofuran-2,3,4-triol |
| InChI |
InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6?/m1/s1 |
| InChIKey |
RFSUNEUAIZKAJO-VRPWFDPXSA-N |
| KEGG Compound ID |
C00095 |
| KEGG Pathways |
PATH: map00051 Fructose and mannose metabolism
PATH: map00052 Galactose metabolism
PATH: map00500 Starch and sucrose metabolism
PATH: map02060 Phosphotransferase system (PTS) |
| PubChem Compound ID |
439709 |
| SMILES |
C(C1C(C(C(O1)(CO)O)O)O)O |
| Source File Reference |
bmse000010 |
