RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0171509 | |
|---|---|---|
| RefMet name | 1-Methylguanine | |
| Systematic name | 2-amino-1-methyl-6,7-dihydro-1H-purin-6-one | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 165.065060 (neutral) | Calculate m/z:
View other RefMet entries with this exact (neutral) mass: +/- 0.05 amu +/- 0.1 amu +/- 0.2 amu +/- 0.5 amu |
| Formula | C6H7N5O | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 38282 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C6H7N5O/c1-11-5(12)3-4(9-2-8-3)10-6(11)7/h2H,1H3,(H2,7,10)(H,8,9) | |
| InChIKey | RFLVMTUMFYRZCB-UHFFFAOYSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | Cn1c(=O)c2c([nH]cn2)nc1N
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
| Chemical/Biochemical Classification | ||
| Super Class | Nucleic acids | |
| Main Class | Purines | |
| Sub Class | Hypoxanthines | |
| Distribution of 1-Methylguanine in NMDR studies | ||
| Species | Plot Species distribution | |
| Sample source | Plot Sample source(tissue) distribution | |
| Platform | Platform (MS/NMR) used for detection | |
| Chromatography | Chromatography methods used for detection | |
| Studies | NMDR Studies reporting 1-Methylguanine | |
| External Links | ||
| Pubchem CID | 70315 | |
| ChEBI ID | 21803 | |
| KEGG ID | C04152 | |
| HMDB ID | HMDB0003282 | |
| Chemspider ID | 63498 | |
| MetaCyc ID | CPD0-1932 | |
| EPA CompTox | DTXCID1029336 | |
| Spectral data for 1-Methylguanine standards | ||
| NP-MRD ID(NMR) | View NMR spectra | |
| MassBank(EU) | View MS spectra | |
| Structural annotation level | ||
| Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) | |
