| SpectraBase Spectrum ID |
6PFlbh27J01 |
| Name |
Thymidine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
35902-13-7
50-89-5 |
| ChEBI ID |
17748 |
| Comments |
100 mM thymidine - vendor: P-L Biochemicals 5012; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz
(Data collected by Madison Metabolomics Consortium) |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C10H14N2O5 |
| IUPAC Name |
1-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone; 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione; 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione |
| InChI |
InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1 |
| InChIKey |
IQFYYKKMVGJFEH-XLPZGREQSA-N |
| KEGG Compound ID |
C00214 |
| KEGG Pathways |
PATH: map00240 Pyrimidine metabolism |
| PubChem Compound ID |
5789 |
| SMILES |
CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O |
| Source File Reference |
bmse000244 |
