RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0160347 | |
|---|---|---|
| RefMet name | Cytarabine | |
| Systematic name | 4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 243.085522 (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 | C9H13N3O5 | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 43237 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1 | |
| InChIKey | UHDGCWIWMRVCDJ-CCXZUQQUSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | c1cn([C@H]2[C@H]([C@@H]([C@@H](CO)O2)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 ribonucleosides | |
| Distribution of Cytarabine 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 Cytarabine | |
| External Links | ||
| Pubchem CID | 6253 | |
| ChEBI ID | 28680 | |
| KEGG ID | C02961 | |
| HMDB ID | HMDB0015122 | |
| Chemspider ID | 6017 | |
| EPA CompTox | DTXCID80196738 | |
| Spectral data for Cytarabine 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) | |
