| SpectraBase Spectrum ID |
4TWWDDjS3Ep |
| Name |
UMP |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
81795-92-8
58-97-9
53624-79-6 |
| ChEBI ID |
16695 |
| Comments |
100 mM UMP; 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 |
C9 H13 N2 O9 P |
| IUPAC Name |
[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acid; [(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxyphosphonic acid |
| InChI |
InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 |
| InChIKey |
DJJCXFVJDGTHFX-XVFCMESISA-N |
| KEGG Compound ID |
C00105 |
| KEGG Pathways |
PATH: map00240 Pyrimidine metabolism
PATH: map00550 Peptidoglycan biosynthesis |
| PubChem Compound ID |
6030 |
| SMILES |
C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O |
| Source File Reference |
bmse000280 |
