RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0049827 | |
|---|---|---|
| RefMet name | 5-Methylcytosine | |
| Systematic name | 6-amino-5-methyl-1,2-dihydropyrimidin-2-one | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 125.058912 (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 | C5H7N3O | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 38217 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C5H7N3O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9) | |
| InChIKey | LRSASMSXMSNRBT-UHFFFAOYSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | Cc1c[nH]c(=O)nc1N
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
| Chemical/Biochemical Classification | ||
| Super Class | Nucleic acids | |
| Main Class | Pyrimidines | |
| Sub Class | Pyrimidones | |
| Distribution of 5-Methylcytosine 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 5-Methylcytosine | |
| External Links | ||
| Pubchem CID | 65040 | |
| ChEBI ID | 27551 | |
| KEGG ID | C02376 | |
| HMDB ID | HMDB0002894 | |
| Chemspider ID | 58551 | |
| MetaCyc ID | CPD0-2018 | |
| EPA CompTox | DTXCID70204255 | |
| Spectral data for 5-Methylcytosine 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) | |
