| SpectraBase Spectrum ID |
AFEa8wzC4I3 |
| Name |
Pyridoxal-5-phosphate |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
52064-48-9
52441-27-7
54-47-7 |
| ChEBI ID |
18405 |
| Comments |
100 mM pyridoxal_5'_Phosphate - vendor: Sigma p9255; 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 |
C8H10NO6P |
| IUPAC Name |
(5-hydroxy-4-methanoyl-6-methyl-pyridin-3-yl)methoxyphosphonic acid; (4-formyl-5-hydroxy-6-methyl-pyridin-3-yl)methoxyphosphonic acid; (4-formyl-5-hydroxy-6-methyl-3-pyridyl)methoxyphosphonic acid |
| InChI |
InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14) |
| InChIKey |
NGVDGCNFYWLIFO-UHFFFAOYSA-N |
| KEGG Compound ID |
C00018 |
| KEGG Pathways |
PATH: map00750 Vitamin B6 metabolism |
| PubChem Compound ID |
1051 |
| SMILES |
CC1=NC=C(C(=C1O)C=O)COP(=O)(O)O |
| Source File Reference |
bmse000111 |
