orotic acid (CHEBI:16742)

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ChEBI Name	orotic acid

ChEBI ID	CHEBI:16742

Definition	A pyrimidinemonocarboxylic acid that is uracil bearing a carboxy substituent at position C-6.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:44781, CHEBI:7787, CHEBI:25720

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Formulae

C5H4N2O4
C5H4N2O4

Net Charge

Average Mass

156.09630

Monoisotopic Mass

156.01711

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

SMILES

OC(=O)c1cc(=O)[nH]c(=O)[nH]1

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed
Escherichia coli (NCBI:txid562)	See: PubMed

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

ChEBI Ontology
Outgoing	orotic acid (CHEBI:16742) has functional parent uracil (CHEBI:17568) orotic acid (CHEBI:16742) has role Escherichia coli metabolite (CHEBI:76971) orotic acid (CHEBI:16742) has role metabolite (CHEBI:25212) orotic acid (CHEBI:16742) has role mouse metabolite (CHEBI:75771) orotic acid (CHEBI:16742) is a pyrimidinemonocarboxylic acid (CHEBI:26447) orotic acid (CHEBI:16742) is conjugate acid of orotate (CHEBI:30839)

Incoming	N-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)carbonyl]-β-alanine (CHEBI:156205) has functional parent orotic acid (CHEBI:16742) dihydroorotic acid (CHEBI:30865) has functional parent orotic acid (CHEBI:16742) methyl N-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)carbonyl]-β-alaninate (CHEBI:156206) has functional parent orotic acid (CHEBI:16742) orotate (CHEBI:30839) is conjugate base of orotic acid (CHEBI:16742)

IUPAC Name

2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

Last Modified

16 July 2020