Orotidine 5'-monophosphate

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Systematic / IUPAC Name: 3-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-2,6-dioxopyrimidine-4-carboxylic acid

ID: Reference1347

Other Names: 1,2,3,6-Tetrahydro-2,6-dioxo-3-(5-O-phosphono-β-δ-ribofuranosyl)-4-pyrimidinecarboxylic acid;
2,6-Dioxo-3-(5-O-phosphono-β-δ-ribofuranosyl)-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid;
4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-3-(5-O-phosphono-β-D-ribofuranosyl)-;
Orotidylate;
Ometoprim

Formula: C10H13N2O11P

Class: Endogenous Metabolites

Spectral Data

Orotidine 5'-monophosphate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 248
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 12/4/2014 9:12:32 AM
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Identificators

InChI InChI=1S/C10H13N2O11P/c13-5-1-3(9(16)17)12(10(18)11-5)8-7(15)6(14)4(23-8)2-22-24(19,20)21/h1,4,6-8,14-15H,2H2,(H,16,17)(H,11,13,18)(H2,19,20,21)/t4-,6-,7-,8-/m1/s1
InChI Key KYOBSHFOBAOFBF-XVFCMESISA-N
Canonical SMILES
CAS 2149828
Splash
Other Names 1,2,3,6-Tetrahydro-2,6-dioxo-3-(5-O-phosphono-β-δ-ribofuranosyl)-4-pyrimidinecarboxylic acid;
2,6-Dioxo-3-(5-O-phosphono-β-δ-ribofuranosyl)-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid;
4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-3-(5-O-phosphono-β-D-ribofuranosyl)-;
Orotidylate;
Ometoprim;
Orotidylic acid

In Other Databases

KEGG C01103
ChemSpider 141140
ChemIDPlus 002149828
ChEBI CHEBI:15842
PubChem 160617
ChEMBL CHEMBL1207358
Wikipedia Orotidine 5'-monophosphate
HMDb HMDB00218