Record Information Version 1.0 Status Detected and Quantified Creation Date 2022-06-05 22:59:56 UTC Update Date 2022-09-01 02:27:54 UTC MiMeDB ID MMDBc0054223 Metabolite Identification Common Name 3-hydroxy-2-methylpropanoic acid Description Structure Synonyms Value Source 3-Hydroxy-2-isobutyric acid Generator 3-Hydroxy-2-methylpropanoate HMDB 3-Hydroxy-2-methylpropanoic acid HMDB 3-Hydroxy-2-methylpropionate HMDB 3-Hydroxy-2-methylpropionic acid HMDB
Chemical Formula C4 H7 O3 Average Molecular Weight 103.098 Monoisotopic Molecular Weight 103.040067665 IUPAC Name Not Available Traditional Name Not Available CAS Registry Number Not Available SMILES Not Available InChI Identifier InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/p-1
InChI Key DBXBTMSZEOQQDU-UHFFFAOYSA-M Chemical Taxonomy Description This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. Kingdom Organic compounds Super Class Organic acids and derivatives Class Hydroxy acids and derivatives Sub Class Beta hydroxy acids and derivatives Direct Parent Beta hydroxy acids and derivatives Alternative Parents Substituents Beta-hydroxy acid
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Carbonyl group
Alcohol
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 Actinobacteria 3 Cattle ; Human Proteobacteria 1 Human Fungi Ascomycota 2
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 HMDB62640 DrugBank ID Not Available 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 11966314 PDB ID Not Available ChEBI ID 11805 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 ]
