RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0033386 | |
|---|---|---|
| RefMet name | Pseudouridine | |
| Systematic name | 5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 244.069538 (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 | C9H12N2O6 | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 37416 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C9H12N2O6/c12-2-4-5(13)6(14)7(17-4)3-1-10-9(16)11-8(3)15/h1,4-7,12-14H,2H2,(H2,10,11,15,16)/t4-,5-,6-,7+/m1/s1 | |
| InChIKey | PTJWIQPHWPFNBW-GBNDHIKLSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | c1c([C@H]2[C@@H]([C@@H]([C@@H](CO)O2)O)O)c(=O)[nH]c(=O)[nH]1
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
| Chemical/Biochemical Classification | ||
| Super Class | Nucleic acids | |
| Main Class | Pyrimidines | |
| Sub Class | Pyrimidine ribonucleosides | |
| Distribution of Pseudouridine 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 Pseudouridine | |
| External Links | ||
| Pubchem CID | 15047 | |
| ChEBI ID | 17802 | |
| KEGG ID | C02067 | |
| HMDB ID | HMDB0000767 | |
| Chemspider ID | 14319 | |
| MetaCyc ID | CPD-497 | |
| PhytoHub DB | PHUB003038 | |
| Spectral data for Pseudouridine 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) | |
