Record Information Version 1.0 Status Detected and Quantified Creation Date 2021-11-19 04:46:14 UTC Update Date 2022-08-31 22:35:45 UTC MiMeDB ID MMDBc0033381 Metabolite Identification Common Name Ethyl propanoate Description Ethyl propanoate, also known as fema 2456, belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom, forming an ester group. Ethyl propanoate exists as a solid. It is very hydrophobic, practically insoluble in water, and a relatively neutral molecule. Ethyl propanoate exists in all eukaryotes, ranging from yeast to humans. Ethyl propanoate has been found to be associated with several known diseases as autism, irritable bowel syndrome, ulcerative colitis, and nonalcoholic fatty liver disease; also ethyl propanoate has been linked to the inborn metabolic disorders including celiac disease. As a volatile organic compound, ethyl propionate has been identified as a fecal biomarker of Clostridium difficile infection (PMID:30986230 ). Structure Synonyms Value Source Ethyl N-propionate ChEBI Ethyl propanoate ChEBI Propionic acid ethyl ester ChEBI Ethyl N-propionic acid Generator Ethyl propanoic acid Generator Propionate ethyl ester Generator Ethyl propionic acid Generator Ethyl ester OF propanoic acid HMDB Ethylpropionate HMDB FEMA 2456 HMDB Propanoic acid, ethyl ester HMDB Propionic acid, ethyl ester HMDB
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 105-37-3 SMILES Not Available InChI Identifier InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3
InChI Key FKRCODPIKNYEAC-UHFFFAOYSA-N Chemical Taxonomy Description Belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). Kingdom Organic compounds Super Class Organic acids and derivatives Class Carboxylic acids and derivatives Sub Class Carboxylic acid derivatives Direct Parent Carboxylic acid esters Alternative Parents Substituents Carboxylic acid ester
Monocarboxylic acid or derivatives
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound Molecular Framework Aliphatic acyclic compounds External Descriptors Functional Ontology Not Available Physical Properties State Liquid 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 Human Pathways Pathways Metabolic Reactions Not Available
Health Effects and Bioactivity Health Outcome/Bioactivity Metabolite Response/Effect Related Health Condition Evidence Type Measured in Matrix Data Source Reference Autism This associated disease is originally imported from HMDB metabolite HMDB0030058 concentration id 160791 Association Human Feces 24130822 detailsCeliac disease Slight Increase This associated disease is originally imported from HMDB metabolite HMDB0030058 concentration id 97514 Association Human Feces 21970810 detailsCrohn's disease This associated disease is originally imported from HMDB metabolite HMDB0030058 concentration id 121826 Association Human Feces 23867873 detailsIrritable bowel syndrome This associated disease is originally imported from HMDB metabolite HMDB0030058 concentration id 121824 Association Human Feces 23867873 detailsUlcerative colitis This associated disease is originally imported from HMDB metabolite HMDB0030058 concentration id 121825 Association Human Feces 23867873 details
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 Animal Milk Bos taurus FooDB 31437929 detailsAnimal Milk Bos taurus FooDB 31437929 detailsAnimal Milk Bos taurus FooDB 31437929 detailsAnimal Milk Bos taurus FooDB 31437929 detailsFood FooDB 31437929 detailsFood FooDB 31437929 detailsPlant Fruit Olea europaea FooDB 31437929 detailsPlant Flower essential oil Sambucus nigra FooDB 31437929 detailsPlant Juice Rubus FooDB 31437929 detailsPlant Fruit Ananas comosus FooDB 31437929 detailsPlant Fruit Vaccinium angustifolium FooDB 31437929 detailsPlant Essence Malus pumila FooDB 31437929 detailsPlant Fruit Prunus avium FooDB 31437929 detailsPlant Fruit Opuntia FooDB 31437929 detailsPlant Fruit Pyrus pyrifolia FooDB 31437929 detailsPlant Fruit Malus pumila FooDB 31437929 detailsPlant Fruit Ficus carica FooDB 31437929 details
Host Biospecimen and Location Host and Biospecimen Status Mean Std Min Max Units Age Sex Health Condition Data Source Reference Human Detected and Quantified 2284.632 718.0271 7376.0971 Children (1 - 13 years old) Both Autism HMDB 24130822 detailsHuman Detected and Quantified 0 259044.613 Children (1-13 years old) Not Specified Treated celiac disease HMDB 21970810 detailsHuman Detected and Quantified 0.000294 0.0000098 0.00177 Not Specified Not Specified Crohns disease HMDB 23867873 detailsHuman Detected and Quantified 0 0 0.000039 Not Specified Not Specified Irritable bowel syndrome HMDB 23867873 detailsHuman Detected and Quantified 6723.345 326.376 22193.566 Children (1 - 13 years old) Both Developmental Disorder Not Otherwise Specified HMDB 24130822 detailsHuman Detected and Quantified 0 0 0.000587 Not Specified Not Specified Ulcerative colitis HMDB 23867873 detailsHuman Detected and Quantified 110.968 Adult (>18 years old) Not Specified Normal HMDB 26416813 detailsHuman Detected and Quantified 297.00214 Adult (>18 years old) Not Specified Normal HMDB 26416813 detailsHuman Detected and Quantified 319.848 Adult (>18 years old) Not Specified Normal HMDB 26416813 detailsHuman Detected and Quantified 0 46606.489 Children (1-13 years old) Not Specified Normal HMDB 21970810 detailsHuman Detected and Quantified 4471.351 293.738 24315.0103 Children (1 - 13 years old) Both Normal HMDB 24130822 detailsHuman Feces Detected but not Quantified Adult (>18 years old) Both Normal HMDB 17314143 detailsHuman Feces Detected but not Quantified Newborn (0-30 days old) Both Normal HMDB 21386183 detailsHuman Feces Detected but not Quantified Adult (>18 years old) Both Normal HMDB 23454028 detailsHuman Feces Detected but not Quantified Adult (>18 years old) Female Normal HMDB 23454028 detailsHuman Feces Detected but not Quantified Adult (>18 years old) Both Normal HMDB 24922509 details
External Links HMDB ID HMDB0030058 DrugBank ID Not Available Phenol Explorer Compound ID Not Available FooDB ID FDB001366 KNApSAcK ID C00035617 Chemspider ID 7463 KEGG Compound ID Not Available BioCyc ID Not Available BiGG ID Not Available Wikipedia Link Ethyl propionate METLIN ID Not Available PubChem Compound 7749 PDB ID CA1 ChEBI ID 41330 Food Biomarker Ontology Not Available References Synthesis Reference Not Available General References Patel M, Fowler D, Sizer J, Walton C: Faecal volatile biomarkers of Clostridium difficile infection. PLoS One. 2019 Apr 15;14(4):e0215256. doi: 10.1371/journal.pone.0215256. eCollection 2019. [PubMed:30986230 ] Yannai, Shmuel (2004). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. Boca Raton: Chapman & Hall/CRC..
