RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0156408 | |
|---|---|---|
| RefMet name | 5'-Deoxyadenosine | |
| Systematic name | (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-methyloxolane-3,4-diol | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 251.101840 (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 | C10H13N5O3 | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 37963 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C10H13N5O3/c1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-4,6-7,10,16-17H,1H3,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | |
| InChIKey | XGYIMTFOTBMPFP-KQYNXXCUSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | C[C@@H]1[C@H]([C@H]([C@H](n2cnc3c(N)ncnc23)O1)O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
| Chemical/Biochemical Classification | ||
| Super Class | Nucleic acids | |
| Main Class | Purines | |
| Sub Class | Purine ribonucleosides | |
| Distribution of 5'-Deoxyadenosine 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'-Deoxyadenosine | |
| External Links | ||
| Pubchem CID | 439182 | |
| ChEBI ID | 17319 | |
| KEGG ID | C05198 | |
| HMDB ID | HMDB0001983 | |
| Chemspider ID | 388325 | |
| MetaCyc ID | CH33ADO | |
| Spectral data for 5'-Deoxyadenosine standards | ||
| MassBank(EU) | View MS spectra | |
| Structural annotation level | ||
| Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) | |
