Record Information Version 1.0 Status Detected and Quantified Creation Date 2021-11-18 01:56:09 UTC Update Date 2022-08-31 18:26:42 UTC MiMeDB ID MMDBc0031948 Metabolite Identification Common Name beta-Lactam Description A lactam in which the amide bond is contained within a four-membered ring, which includes the amide nitrogen and the carbonyl carbon Structure Synonyms Value Source 1-Nitroethane ChEBI Nitroethan ChEBI b-Lactam Generator Β-lactam Generator Ethylnitronate MeSH
Chemical Formula C2 H5 NO2 Average Molecular Weight 75.0666 Monoisotopic Molecular Weight 75.032028409 IUPAC Name Not Available Traditional Name Not Available CAS Registry Number Not Available SMILES Not Available InChI Identifier InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3
InChI Key MCSAJNNLRCFZED-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
Propargyl-type 1,3-dipolar organic compound
Organic oxoazanium
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organonitrogen compound
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 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 Proteobacteria 1 Human 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 C01837 BioCyc ID CPD-12077 BiGG ID Not Available Wikipedia Link Nitroethane METLIN ID Not Available PubChem Compound 6587 PDB ID Not Available ChEBI ID 16268 Food Biomarker Ontology Not Available References Synthesis Reference Not Available General References Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]
