RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0043305 | |
|---|---|---|
| RefMet name | 3'-CMP | |
| Systematic name | [(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 323.051855 (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 | C9H14N3O8P | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 49865 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4 -,6-,7-,8-/m1/s1 | |
| InChIKey | UOOOPKANIPLQPU-XVFCMESISA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | c1cn([C@H]2[C@@H]([C@@H]([C@@H](CO)O2)OP(=O)(O)O)O)c(=O)nc1N
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
| Chemical/Biochemical Classification | ||
| Super Class | Nucleic acids | |
| Main Class | Pyrimidines | |
| Sub Class | Pyrimidine rNMP | |
| Distribution of 3'-CMP 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 3'-CMP | |
| External Links | ||
| Pubchem CID | 66535 | |
| ChEBI ID | 53013 | |
| KEGG ID | C05822 | |
| HMDB ID | HMDB0240312 | |
| Spectral data for 3'-CMP standards | ||
| MassBank(EU) | View MS spectra | |
| Structural annotation level | ||
| Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) | |
