| SpectraBase Spectrum ID |
9CwqC0iyWf7 |
| Name |
Adonitol |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
28296-13-1
488-81-3
84709-28-4 |
| ChEBI ID |
15963 |
| Comments |
100 mM adonitol - vendor: Acros 167030050; 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 |
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-ZXFHETKHSA-N |
| KEGG Compound ID |
C00474 |
| KEGG Pathways |
PATH: map00040 Pentose and glucuronate interconversions
PATH: map00740 Riboflavin metabolism |
| PubChem Compound ID |
827 |
| SMILES |
C(C(C(C(CO)O)O)O)O |
| Source File Reference |
bmse000062 |
