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L-Dihydroorotic acid
SpectraBase Compound ID 6djAwyld41k
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
Mol Weight 158.11 g/mol
Molecular Formula C5H6N2O4
Exact Mass 158.032757 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L5H9XtHpR3l
Name L-Dihydroorotic acid
Acquisition Mode SIMULTANEOUS
CAS Registry Number 5988-19-2
ChEBI ID 17025
Comments 100 mM L-Dihydroorotic acid - Sigma-Aldrich D7128 Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference DSS; pH 7.4, temperature 298 K
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C5 H6 N2 O4
IUPAC Name (4S)-2,6-dioxo-1,3-diazinane-4-carboxylic acid; (4S)-2,6-diketohexahydropyrimidine-4-carboxylic acid; (4S)-2,6-dioxohexahydropyrimidine-4-carboxylic acid; (4S)-2,6-dioxo-4-hexahydropyrimidinecarboxylic acid
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
KEGG Compound ID C00337
KEGG Pathways PATH: ko00240 Pyrimidine metabolism
PubChem Compound ID 439216
SMILES C1C(NC(=O)NC1=O)C(=O)O; C1[C@H](NC(=O)NC1=O)C(=O)O
Source File Reference bmse000342