RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0132232
RefMet name	4,5-Dihydroorotic acid
Systematic name	2,6-dioxo-1,3-diazinane-4-carboxylic acid
Synonyms	PubChem Synonyms
Exact mass	158.032758 (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	C5H6N2O4	View other entries in RefMet with this formula
Molecular descriptors
Molfile	54272 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)/t2-/m1/s1
InChIKey	UFIVEPVSAGBUSI-UWTATZPHSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C1[C@H](C(=O)O)NC(=O)NC1=O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic acids
Main Class	Amino acids and peptides
Sub Class	Amino acids
Distribution of 4,5-Dihydroorotic 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 4,5-Dihydroorotic acid
External Links
Pubchem CID	1149667
ChEBI ID	30866
KEGG ID	C00337
HMDB ID	HMDB0000528
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 4,5-Dihydroorotic 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
R01993	(S)-Dihydroorotate + H2O <=> N-Carbamoyl-L-aspartate	(S)-dihydroorotate amidohydrolase

Table of KEGG human pathways containing 4,5-Dihydroorotic acid

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