Record Information Version 1.0 Status Detected and Quantified Creation Date 2022-06-05 23:17:37 UTC Update Date 2022-08-12 20:09:01 UTC MiMeDB ID MMDBc0054554 Metabolite Identification Common Name malonate Description Malonate Ion, also known as malo, belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. Malonate Ion is a moderately acidic compound (based on its pKa). A dicarboxylic acid dianion obtained by the deprotonation of the carboxy groups of malonic acid. Structure Synonyms Value Source Malo ChEBI Malonate ChEBI Malonic acid, ion(2-) ChEBI (-)OOC-CH2-COO(-) ChEBI Propanedioic acid, ion(2-) ChEBI Malonic acid Generator Malonate, ion(2-) Generator Propanedioate, ion(2-) Generator Malonic acid ion Generator Malonic acid, monocalcium salt MeSH Thallium malonate MeSH Malonic acid, disodium salt, 1-(14)C-labeled MeSH Malonic acid, potassium salt MeSH Malonic acid, sodium salt MeSH Thallous malonate MeSH Malonic acid, 1,3-(14)C2-labeled MeSH Malonic acid, 2-(14)C-labeled MeSH Malonic acid, diammonium salt MeSH Malonic acid, dipotassium salt MeSH Malonic acid, disodium salt MeSH Malonic acid, dithallium salt MeSH Malonic acid, monosodium salt MeSH Dithallium malonate MeSH Monosodium malonate MeSH MALONATE ion ChEBI Malonic acid(2-) Generator
Chemical Formula C3 H2 O4 Average Molecular Weight 102.0456 Monoisotopic Molecular Weight 101.995308552 IUPAC Name Not Available Traditional Name Not Available CAS Registry Number Not Available SMILES Not Available InChI Identifier InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2
InChI Key OFOBLEOULBTSOW-UHFFFAOYSA-L Chemical Taxonomy Description Belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. Kingdom Organic compounds Super Class Organic acids and derivatives Class Carboxylic acids and derivatives Sub Class Dicarboxylic acids and derivatives Direct Parent Dicarboxylic acids and derivatives Alternative Parents Substituents 1,3-dicarbonyl compound
Dicarboxylic acid or derivatives
Carboxylic acid
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Organic anion
Aliphatic acyclic compound Molecular Framework Aliphatic acyclic compounds External Descriptors Functional Ontology Not Available Physical Properties State Expected Solid Predicted Properties Not Available Spectra Not Available Biological Properties Cellular Locations Not Available Biospecimen Locations Not Available Tissue Locations Not Available Associated OMIM IDs 114500 (Colorectal cancer)610247 (Eosinophilic esophagitis)Human Proteins and Enzymes Proteins Human Pathways Pathways Metabolic Reactions Reaction ID Precursor Product Enzyme Reaction Type Data Source Reference
Health Effects and Bioactivity Health Outcome/Bioactivity Metabolite Response/Effect Related Health Condition Evidence Type Measured in Matrix Data Source Reference
Microbial Sources Kingdom Phylum Total species Hosts and Body Sites Microbial Links Fungi Ascomycota 1 Human Feces Unknown
Exposure Sources Source Type Source Sub-type Species Data Source Reference Details
Host Biospecimen and Location Host and Biospecimen Status Mean Std Min Max Units Age Sex Health Condition Data Source Reference
External Links HMDB ID Not Available DrugBank ID DB02201 Phenol Explorer Compound ID Not Available FooDB ID Not Available KNApSAcK ID Not Available Chemspider ID Not Available KEGG Compound ID Not Available BioCyc ID Not Available BiGG ID Not Available Wikipedia Link Not Available METLIN ID Not Available PubChem Compound 9084 PDB ID Not Available ChEBI ID 15792 Food Biomarker Ontology Not Available References Synthesis Reference Not Available General References Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]
