Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	50932
Common Name:	Uracil-5-carboxylic acid
Systematic Name:	2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
RefMet Name:	Uracil-5-carboxylic acid
Synonyms:	2,4-Dihydroxy-5-pyrimidinecarboxylic acid; 5-Carboxyuracil; Isoorotic acid; Steviolbioside; Uracil-5-carboxylic acid [PubChem Synonyms]
Exact Mass:	156.0171 (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-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C5H4N2O4
InChIKey:	ZXYAAVBXHKCJJB-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Diazines [C0001346]
ClassyFire subclass:	Pyrimidines and pyrimidine derivatives [C0000075]
ClassyFire direct parent:	Pyrimidinecarboxylic acids [C0002415]
MoNA MS spectra:	View MS spectra
SMILES:	c1c(c(=O)[nH]c(=O)[nH]1)C(=O)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	90301
CHEBI ID:	17477
Plant Metabolite Hub(Pmhub):	MS000008652

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y