| SpectraBase Spectrum ID |
3YJ4CUBEIRP |
| Name |
Pyridoxamine-5-phosphate |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
529-96-4
951-83-7 |
| ChEBI ID |
18335 |
| Comments |
100 mM pyridoxamine_5'_phosphate - vendor: Fluka 82890; 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 |
C8H13N2O5P |
| IUPAC Name |
[4-(aminomethyl)-5-hydroxy-6-methyl-pyridin-3-yl]methoxyphosphonic acid; [4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridyl]methoxyphosphonic acid |
| InChI |
InChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14) |
| InChIKey |
ZMJGSOSNSPKHNH-UHFFFAOYSA-N |
| KEGG Compound ID |
C00647 |
| KEGG Pathways |
PATH: map00750 Vitamin B6 metabolism |
| PubChem Compound ID |
1053 |
| SMILES |
CC1=NC=C(C(=C1O)CN)COP(=O)(O)O |
| Source File Reference |
bmse000131 |
