RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0028430 | |
|---|---|---|
| RefMet name | Creatinine | |
| Systematic name | 2-imino-1-methylimidazolidin-4-one | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 113.058912 (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 | C4H7N3O | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 37310 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8) | |
| InChIKey | DDRJAANPRJIHGJ-UHFFFAOYSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | CN1CC(=O)NC1=N
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
| Chemical/Biochemical Classification | ||
| Super Class | Organoheterocyclic compounds | |
| Main Class | Azoles | |
| Sub Class | Imidazolines | |
| Distribution of Creatinine 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 Creatinine | |
| External Links | ||
| Pubchem CID | 137319715 | |
| ChEBI ID | 16737 | |
| KEGG ID | C00791 | |
| HMDB ID | HMDB0000562 | |
| Chemspider ID | 568 | |
| MetaCyc ID | CREATININE | |
| EPA CompTox | DTXCID6025987 | |
| Spectral data for Creatinine standards | ||
| BMRB ID(NMR) | View NMR spectra | |
| 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) | |
