RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0015229 | |
|---|---|---|
| RefMet name | Trimethoprim | |
| Systematic name | 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 290.137891 (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 | C14H18N4O3 | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 42795 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | |
| InChIKey | IEDVJHCEMCRBQM-UHFFFAOYSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | COc1cc(Cc2cnc(N)nc2N)cc(c1OC)OC
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
| Chemical/Biochemical Classification | ||
| Super Class | Benzenoids | |
| Main Class | Phenols | |
| Sub Class | Anisoles | |
| Distribution of Trimethoprim 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 Trimethoprim | |
| External Links | ||
| Pubchem CID | 5578 | |
| ChEBI ID | 45924 | |
| KEGG ID | C01965 | |
| HMDB ID | HMDB0014583 | |
| Chemspider ID | 5376 | |
| MetaCyc ID | CPD0-1581 | |
| EPA CompTox | DTXCID803712 | |
| Spectral data for Trimethoprim standards | ||
| MassBank(EU) | View MS spectra | |
| Structural annotation level | ||
| Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) | |
