RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0136002
RefMet name	Orotidine
Systematic name	3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Synonyms	PubChem Synonyms
Exact mass	288.059368 (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	C10H12N2O8	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37427 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C10H12N2O8/c13-2-4-6(15)7(16)8(20-4)12-3(9(17)18)1-5(14)11-10(12)19/h1,4,6-8,13,15-16H,2H2,(H,17,18)(H,11,14,19)/t4-,6-,7 -,8-/m1/s1
InChIKey	FKCRAVPPBFWEJD-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](CO)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 ribonucleosides
Distribution of Orotidine 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 Orotidine
External Links
Pubchem CID	92751
ChEBI ID	25722
KEGG ID	C01103
HMDB ID	HMDB0000788
Chemspider ID	83729
NPAtlas DB	NP000804
Spectral data for Orotidine standards
NP-MRD ID(NMR)	View NMR 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 Orotidine

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 Orotidine

Pathway ID	Human Pathway	# of reactions
hsa00240	Pyrimidine metabolism	2