Isoorotic acid

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Systematic / IUPAC Name: 2,4-Dioxo-1H-pyrimidine-5-carboxylic acid

ID: Reference13794

Other Names: 1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinecarboxylic acid;
AA-3955

Formula: C5H4N2O4

Class: Endogenous Metabolites

Spectral Data

Isoorotic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 2
No. of Spectra 500
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 2/25/2026 6:47:41 PM
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Identificators

InChI InChI=1S/C5H4N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)
InChI Key ZXYAAVBXHKCJJB-UHFFFAOYSA-N
Canonical SMILES O=C(O)c1cnc(O)nc1O
CAS
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Other Names 1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinecarboxylic acid;
AA-3955

In Other Databases

PubChem 90301
ChemSpider 81524
ChEMBL CHEMBL1213478
ChEBI CHEBI:17477
KEGG C03030