| SpectraBase Spectrum ID |
8yDMsEWQkbM |
| Name |
D-Allose |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
2595-97-3 |
| ChEBI ID |
17393 |
| Comments |
100 mM D-allose - vendor: Sigma 285005; 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 |
(3R,4R,5R,6R)-6-methyloltetrahydropyran-2,3,4,5-tetrol ; (3R,4R,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; (3R,4R,5R,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol |
| InChI |
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6?/m1/s1 |
| InChIKey |
WQZGKKKJIJFFOK-IVMDWMLBSA-N |
| KEGG Compound ID |
C01487 |
| KEGG Pathways |
PATH: map02010 ABC transporters û General |
| PubChem Compound ID |
439507 |
| SMILES |
C(C1C(C(C(C(O1)O)O)O)O)O |
| Source File Reference |
bmse000008 |
