| SpectraBase Spectrum ID |
F3xHPn8X2gc |
| Name |
dTMP |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
365-07-1 |
| ChEBI ID |
17013 |
| Comments |
100 mM dTMP - Sigma T9625; 100 % D2O 50 mM sodium phosphate 500 uM sodium azide 500 uM 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 - Qiu Cui, Ian Lewis, Mark E. Anderson, John L. Markley. |
| Formula |
C10 H15 N2 O8 P |
| IUPAC Name |
[(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methoxyphosphonic acid; [(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxyphosphonic acid |
| InChI |
InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1 |
| InChIKey |
GYOZYWVXFNDGLU-XLPZGREQSA-N |
| KEGG Compound ID |
C00364 |
| KEGG Pathways |
PATH: map00240 Pyrimidine metabolism |
| PubChem Compound ID |
9700 |
| SMILES |
CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O |
| Source File Reference |
bmse000296 |
