| SpectraBase Spectrum ID |
40y4Afb6wlq |
| Name |
Xylitol |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
12426-00-5
37191-59-6
7313-55-5
75398-81-1
84709-42-2
87-99-0 |
| ChEBI ID |
17151 |
| Comments |
100 mM xylitol - vendor: Acros 225981000; 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 |
C5H12O5 |
| IUPAC Name |
(2S,4R)-pentane-1,2,3,4,5-pentol; pentane-1,2,3,4,5-pentol |
| InChI |
InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5+ |
| InChIKey |
HEBKCHPVOIAQTA-SCDXWVJYSA-N |
| KEGG Compound ID |
C00379 |
| KEGG Pathways |
PATH: map00040 Pentose and glucuronate interconversions |
| PubChem Compound ID |
6912 |
| SMILES |
C(C(C(C(CO)O)O)O)O |
| Source File Reference |
bmse000129 |
