| SpectraBase Spectrum ID |
122PAga12iI |
| Name |
Hypoxanthine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
184856-40-4
25991-07-5
25991-08-6
25991-09-7
39464-15-8
39464-17-0
480-99-9
6535-89-3
68-94-0 |
| ChEBI ID |
17368 |
| Comments |
100 mM hypoxanthine - vendor: Sigma h9377; Solvent: D2O; Temperature=298 K, pH=10.5; 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 |
C5H4N4O |
| IUPAC Name |
3,7-dihydropurin-6-one |
| InChI |
InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10) |
| InChIKey |
FDGQSTZJBFJUBT-UHFFFAOYSA-N |
| KEGG Compound ID |
C00262 |
| KEGG Pathways |
PATH: map00230 Purine metabolism |
| PubChem Compound ID |
790 |
| SMILES |
C1=NC2=C(N1)C(=O)N=CN2 |
| Source File Reference |
bmse000094 |
