| SpectraBase Spectrum ID |
tZPXqt0Xh6 |
| Name |
D-Xylulose |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
551-84-8 |
| ChEBI ID |
17140 |
| Comments |
100 mM D_xylulose - vendor: Sigma x4526; 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 |
C5H10O5 |
| IUPAC Name |
(3S,4R)-2-methyloltetrahydrofuran-2,3,4-triol; (3S,4R)-2-(hydroxymethyl)oxolane-2,3,4-triol; (3S,4R)-2-(hydroxymethyl)tetrahydrofuran-2,3,4-triol |
| InChI |
InChI=1S/C5H10O5/c6-2-5(9)4(8)3(7)1-10-5/h3-4,6-9H,1-2H2/t3-,4+,5?/m1/s1 |
| InChIKey |
LQXVFWRQNMEDEE-OVEKKEMJSA-N |
| KEGG Compound ID |
C00310 |
| KEGG Pathways |
PATH: map00040 Pentose and glucuronate interconversions |
| PubChem Compound ID |
439204 |
| SMILES |
C1C(C(C(O1)(CO)O)O)O |
| Source File Reference |
bmse000027 |
