Record Information Version 1.0 Status Detected and Quantified Creation Date 2021-11-19 04:29:22 UTC Update Date 2022-08-31 21:49:46 UTC MiMeDB ID MMDBc0032970 Metabolite Identification Common Name Ethylnitronate Description Structure Synonyms Value Source Aci-nitroethane ion(1-) ChEBI Ethanenitronate ChEBI Ethylnitronate(1-) ChEBI Nitroethane aci-anion ChEBI Nitroethane anion ChEBI Ethanenitronic acid Generator Ethylnitronic acid(1-) Generator Ethylnitronic acid Generator Nitroethane MeSH
Chemical Formula C2 H4 NO2 Average Molecular Weight 74.0587 Monoisotopic Molecular Weight 74.024203377 IUPAC Name Not Available Traditional Name Not Available CAS Registry Number Not Available SMILES Not Available InChI Identifier InChI=1S/C2H4NO2/c1-2-3(4)5/h2H,1H3/q-1
InChI Key YERBBVNYIKLXDM-UHFFFAOYSA-N Chemical Taxonomy Description Belongs to the class of organic compounds known as c-nitro compounds. C-nitro compounds are compounds having the nitro group, -NO2 (free valence on nitrogen), which is attached to carbon. Kingdom Organic compounds Super Class Organic 1,3-dipolar compounds Class Allyl-type 1,3-dipolar organic compounds Sub Class Organic nitro compounds Direct Parent C-nitro compounds Alternative Parents Substituents C-nitro compound
Organic oxoazanium
Organic nitrogen compound
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
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 Not Available Phenol Explorer Compound ID Not Available FooDB ID Not Available KNApSAcK ID Not Available Chemspider ID Not Available KEGG Compound ID C18091 BioCyc ID Not Available BiGG ID Not Available Wikipedia Link Not Available METLIN ID Not Available PubChem Compound 5748355 PDB ID Not Available ChEBI ID 55327 Food Biomarker Ontology Not Available References Synthesis Reference Not Available General References Authors unspecified: Ongoing and future developments at the Universal Protein Resource. Nucleic Acids Res. 2011 Jan;39(Database issue):D214-9. doi: 10.1093/nar/gkq1020. Epub 2010 Nov 4. [PubMed:21051339 ]
