RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0136213
RefMet name	Dihydroorotic acid
Systematic name	(4S)-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	38301 (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-/m0/s1
InChIKey	UFIVEPVSAGBUSI-REOHCLBHSA-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 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 Dihydroorotic acid
External Links
Pubchem CID	439216
ChEBI ID	17025
KEGG ID	C00337
HMDB ID	HMDB0003349
Chemspider ID	388355
EPA CompTox	DTXCID40810706
Spectral data for Dihydroorotic acid standards
BMRB ID(NMR)	View NMR spectra
NP-MRD ID(NMR)	View NMR spectra
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 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 Dihydroorotic acid

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