| SpectraBase Spectrum ID |
G45YUNX3iBT |
| Name |
Pyridoxine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
65-23-6; 58-56-0 |
| ChEBI ID |
16709 |
| Comments |
100 mM Pyridoxine - Aldrich 30,824-2
Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference DSS; pH 7.4, temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C8 H11 N O3 |
| IUPAC Name |
4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; 2-methyl-4,5-dimethylol-pyridin-3-ol |
| InChI |
InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3 |
| InChIKey |
LXNHXLLTXMVWPM-UHFFFAOYSA-N |
| KEGG Compound ID |
C00314 |
| KEGG Pathways |
PATH: ko00750 Vitamin B6 metabolism |
| PubChem Compound ID |
1054 |
| SMILES |
CC1=NC=C(C(=C1O)CO)CO |
| Source File Reference |
bmse000288 |
