Record Information Version 1.0 Status Detected and Quantified Creation Date 2021-11-19 04:59:56 UTC Update Date 2022-08-31 22:37:56 UTC MiMeDB ID MMDBc0033710 Metabolite Identification Common Name S-Ethylacetothioate Description Structure Synonyms Value Source S-Ethylacetothioic acid Generator
Chemical Formula C4 H7 OS Average Molecular Weight 103.163 Monoisotopic Molecular Weight 103.021760536 IUPAC Name Not Available Traditional Name Not Available CAS Registry Number Not Available SMILES Not Available InChI Identifier InChI=1S/C4H8OS/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)/p-1
InChI Key DGAODIKUWGRDBO-UHFFFAOYSA-M Chemical Taxonomy Description Belongs to the class of organic compounds known as carbothioic o-acids. These are organic acids with the general formula RCO-SH (R=H, organic group). Kingdom Organic compounds Super Class Organic acids and derivatives Class Carbothioic O-acids Sub Class Not Available Direct Parent Carbothioic O-acids Alternative Parents Substituents Carbothioic o-acid
Carbodithioic acid
Thiocarboxylic acid
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Thiocarbonyl group
Organosulfur compound
Organooxygen compound
Organic anion
Aliphatic acyclic compound Molecular Framework Aliphatic acyclic compounds External Descriptors Not Available 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 Not Available
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 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 22912456 PDB ID Not Available ChEBI ID Not Available Food Biomarker Ontology Not Available References Synthesis Reference Not Available General References Ramirez-Gaona M, Marcu A, Pon A, Guo AC, Sajed T, Wishart NA, Karu N, Djoumbou Feunang Y, Arndt D, Wishart DS: YMDB 2.0: a significantly expanded version of the yeast metabolome database. Nucleic Acids Res. 2017 Jan 4;45(D1):D440-D445. doi: 10.1093/nar/gkw1058. Epub 2016 Nov 28. [PubMed:27899612 ]
