Record Information Version 1.0 Status Detected and Quantified Creation Date 2020-10-27 23:40:00 UTC Update Date 2022-08-31 00:14:56 UTC MiMeDB ID MMDBc0000213 Metabolite Identification Common Name Ethylmethylacetic acid Description Ethylmethylacetic acid is a carboxylic acid found in low amounts in normal humans (PMID 3372640 ). It has been described in the urine of individuals with 2-ethylhydracrylic aciduria associated with short/branched-chain acyl-CoA dehydrogenase deficiency (due to ACADSB gene mutations, OMIM 600301 ) (PMID 15615815 ). Structure Synonyms Not Available Chemical Formula C5 H10 O2 Average Molecular Weight 102.1317 Monoisotopic Molecular Weight 102.068079564 IUPAC Name Not Available Traditional Name Not Available CAS Registry Number 116-53-0 SMILES Not Available InChI Identifier InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChI Key WLAMNBDJUVNPJU-UHFFFAOYSA-N Chemical Taxonomy Functional Ontology Not Available Physical Properties State Expected Solid Predicted Properties Not Available Spectra Not Available Biological Properties Cellular Locations Biospecimen Locations Tissue Locations Not Available Associated OMIM IDs 114500 (Colorectal cancer)610247 (Eosinophilic esophagitis)Human Proteins and Enzymes Proteins #<MetaboliteProteinLink:0x000055b76de9ccb0> 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 Fibrobacteres 1 Microbial culture Proteobacteria 2 Microbial culture Firmicutes 8 Human ; Human Feces Microbial culture; Metabolic reconstruction Bacteroidetes 1 Microbial culture Fungi Ascomycota 1 Human Feces Unknown
Exposure Sources Source Type Source Sub-type Species Data Source Reference Details Food FooDB 31437929 detailsPlant Fruit Vaccinium macrocarpon FooDB 31437929 detailsPlant Fruit Vaccinium corymbosum FooDB 31437929 detailsPlant Fruit Rubus FooDB 31437929 detailsPlant Root Arctium lappa FooDB 31437929 detailsPlant Plant Prunus armeniaca FooDB 31437929 detailsPlant Fruit juice Vaccinium myrtillus FooDB 31437929 detailsPlant Juice Rubus FooDB 31437929 detailsPlant Plant Cinnamomum aromaticum FooDB 31437929 detailsPlant Fruit Capsicum annuum var. annuum FooDB 31437929 detailsPlant Fruit Vaccinium myrtillus FooDB 31437929 detailsPlant Fruit Rubus FooDB 31437929 detailsPlant Flower Carthamus tinctorius FooDB 31437929 detailsPlant Fruit Capsicum annuum FooDB 31437929 detailsPlant Fruit juice Vaccinium corymbosum FooDB 31437929 details
Host Biospecimen and Location Host and Biospecimen Status Mean Std Min Max Units Age Sex Health Condition Data Source Reference Human Feces Detected but not Quantified HMDB detailsHuman Detected and Quantified 0.0097 Children (1-13 years old) Male Normal HMDB 3372640 detailsHuman Detected and Quantified 735.913 226.276 Not Specified Not Specified Normal HMDB 19573517 detailsHuman Detected and Quantified 80 2120 Adult (>18 years old) Both Normal HMDB 25479871 detailsHuman Detected and Quantified 8.04 7.66 Adult (>18 years old) Both Normal HMDB Zerihun T. Dame, Farid Aziat, Rupasri Mandal, Ram Krishnamurthy, Souhaila Bouatra, Shima Borzouie, An Chi Guo, Tanvir Sajed, Lu Deng, Hong Lin, Philip Liu, Edison Dong, David S. Wishart "The human saliva metabolome" Metabolomics (2015) DOI 10.1007/s11306-015-0840-5 detailsHuman Feces Detected but not Quantified Adult (>18 years old) Both Normal HMDB 17314143 detailsHuman Feces Detected but not Quantified Adult (>18 years old) Both Normal HMDB 19167006 detailsHuman Feces Detected but not Quantified Not Specified Not Specified Normal HMDB 19573517 detailsHuman Feces Detected but not Quantified Adult (>18 years old) Both Normal HMDB 21761941 detailsHuman Feces Detected but not Quantified Children (1-13 years old) Not Specified Normal HMDB 21970810 detailsHuman Feces Detected but not Quantified Adult (>18 years old) Both Normal HMDB 23454028 detailsHuman Feces Detected but not Quantified Children (1-13 years old) Both Normal HMDB 24130822 detailsHuman Feces Detected but not Quantified Adult (>18 years old) Both Normal HMDB 24811995 detailsHuman Feces Detected but not Quantified Adult (>18 years old) Both Normal HMDB 26806034 detailsHuman Feces Detected but not Quantified Adult (>18 years old) Both Normal HMDB 27065191 detailsHuman Detected but not Quantified HMDB details
External Links HMDB ID Not Available 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 Not Available PDB ID Not Available ChEBI ID Not Available Food Biomarker Ontology Not Available References Synthesis Reference Not Available General References Schatowitz B, Gercken G: Simultaneous determination of C2-C22 non-esterified fatty acids and other metabolically relevant carboxylic acids in biological material by gas chromatography of their benzyl esters. J Chromatogr. 1988 Mar 18;425(2):257-68. doi: 10.1016/0378-4347(88)80030-6. [PubMed:3372640 ] Korman SH, Andresen BS, Zeharia A, Gutman A, Boneh A, Pitt JJ: 2-ethylhydracrylic aciduria in short/branched-chain acyl-CoA dehydrogenase deficiency: application to diagnosis and implications for the R-pathway of isoleucine oxidation. Clin Chem. 2005 Mar;51(3):610-7. doi: 10.1373/clinchem.2004.043265. Epub 2004 Dec 22. [PubMed:15615815 ]
