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UMP
SpectraBase Compound ID 3SeGsclXKaP
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
Mol Weight 324.18 g/mol
Molecular Formula C9H13N2O9P
Exact Mass 324.035867 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2NbyLH5wEaV
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