RefMet Compound Details

RefMet ID	RM0050067
MW structure	37143 (View MW Metabolite Database details)
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
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)
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
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
Super Class	Nucleic acids
Main Class	Pyrimidines
Sub Class	Pyrimidine rNMP
Pubchem CID	160617
ChEBI ID	15842
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