| SpectraBase Spectrum ID |
KGyEMaTfhaJ |
| Name |
2'-Deoxyuridine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
951-78-0 |
| ChEBI ID |
16450 |
| Comments |
100 mM 2'-Deoxyuridine - Sigma-Aldrich D-5412
Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference DSS; pH 7.4, temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C9 H12 N2 O5 |
| IUPAC Name |
1-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone; 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione; 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione; 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]pyrimidine-2,4-dione |
| InChI |
InChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1 |
| InChIKey |
MXHRCPNRJAMMIM-SHYZEUOFSA-N |
| KEGG Compound ID |
C00526 |
| KEGG Pathways |
PATH: ko00240 Pyrimidine metabolism |
| PubChem Compound ID |
13712 |
| SMILES |
C1C(C(OC1N2C=CC(=O)NC2=O)CO)O; C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O |
| Source File Reference |
bmse000320 |
