RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0050067
RefMet name	Orotidylic acid
Systematic name	3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Synonyms	PubChem Synonyms
Exact mass	368.025701 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C10H13N2O11P	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37143 (Download molfile/View MW Metabolite Database details)
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
InChIKey	KYOBSHFOBAOFBF-XVFCMESISA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	c1c(C(=O)O)n([C@H]2[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O2)O)O)c(=O)[nH]c1=O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Nucleic acids
Main Class	Pyrimidines
Sub Class	Pyrimidine rNMP
Distribution of Orotidylic acid in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Orotidylic acid
External Links
Pubchem CID	160617
ChEBI ID	15842
KEGG ID	C01103
HMDB ID	HMDB0000218
Chemspider ID	141140
MetaCyc ID	OROTIDINE-5-PHOSPHATE
Spectral data for Orotidylic acid standards
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Orotidylic acid

Rxn ID	KEGG Reaction	Enzyme
R00965	Orotidine 5'-phosphate <=> UMP + CO2	orotidine-5'-phosphate carboxy-lyase (UMP-forming)
R01870	Orotidine 5'-phosphate + Diphosphate <=> Orotate + 5-Phospho-alpha-D-ribose 1-diphosphate	Orotidine-5'-phosphate:diphosphate phospho-alpha-D-ribosyl-transferase

Table of KEGG human pathways containing Orotidylic acid

Pathway ID	Human Pathway	# of reactions
hsa00240	Pyrimidine metabolism	2