| SpectraBase Spectrum ID |
4m10g43JSz6 |
| Name |
Pyridoxamine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
85-87-0 |
| ChEBI ID |
16410 |
| Comments |
100 mM pyridoxamine dihydrochloride - vendor: Sigma p9380; 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 © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C8H12N2O2 |
| IUPAC Name |
4-(aminomethyl)-2-methyl-5-methylol-pyridin-3-ol; 4-(aminomethyl)-5-(hydroxymethyl)-2-methyl-pyridin-3-ol |
| InChI |
InChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3 |
| InChIKey |
NHZMQXZHNVQTQA-UHFFFAOYSA-N |
| KEGG Compound ID |
C00534 |
| KEGG Pathways |
PATH: map00750 Vitamin B6 metabolism |
| PubChem Compound ID |
1052 |
| SMILES |
CC1=NC=C(C(=C1O)CN)CO |
| Source File Reference |
bmse000130 |
