| SpectraBase Spectrum ID |
6JD3R33pSkw |
| Name |
Guanine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
11006-44-3
15986-36-4
37432-34-1
492-33-1
54435-87-9
69257-39-2
73-40-5
8039-79-0 |
| ChEBI ID |
16235 |
| Comments |
saturated N/A guanine - vendor: Sigma g11950; Solvent: D2O; Temperature=298 K, pH=12; 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 |
C5H5N5O |
| IUPAC Name |
2-amino-3,7-dihydropurin-6-one |
| InChI |
InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11) |
| InChIKey |
UYTPUPDQBNUYGX-UHFFFAOYSA-N |
| KEGG Compound ID |
C00242 |
| KEGG Pathways |
PATH: map00230 Purine metabolism |
| PubChem Compound ID |
764 |
| SMILES |
C1=NC2=C(N1)C(=O)N=C(N2)N |
| Source File Reference |
bmse000090 |
