RefMet Compound Details

RefMet ID	RM0033030
MW structure	37146 (View MW Metabolite Database details)
RefMet name	Orotic acid
Systematic name	2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
SMILES	c1c(C(=O)O)[nH]c(=O)[nH]c1=O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	156.017108 (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	C5H4N2O4	View other entries in RefMet with this formula
InChI	InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)
InChIKey	PXQPEWDEAKTCGB-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Nucleic acids
Main Class	Pyrimidines
Sub Class	Pyrimidine carboxylic acids
Pubchem CID	967
ChEBI ID	16742
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Orotic acid

Rxn ID	KEGG Reaction	Enzyme
R01867	(S)-Dihydroorotate + Fumarate <=> Orotate + Succinate	(S)-dihydroorotate:fumarate oxidoreductase
R01868	(S)-Dihydroorotate + Quinone <=> Orotate + Hydroquinone	(S)-dihydroorotate:quinone oxidoreductase
R01869	(S)-Dihydroorotate + NAD+ <=> Orotate + H+ + NADH	(S)-dihydroorotate:NAD+ oxidoreductase

Table of KEGG human pathways containing Orotic acid

Pathway ID	Human Pathway	# of reactions
hsa00240	Pyrimidine metabolism	2
hsa01100	Metabolic pathways	2
hsa01240	Biosynthesis of cofactors	2