Record Information Version 1.0 Status Detected and Quantified Creation Date 2021-11-18 01:54:07 UTC Update Date 2022-08-31 18:25:52 UTC MiMeDB ID MMDBc0031900 Metabolite Identification Common Name 2-Aminobut-2-enoate Description Conjugate base of 2-aminobut-2-enoic acid Structure Synonyms Value Source (2Z)-2-Aminobut-2-enoic acid ChEBI (Z)-Dehydrobutyrine ChEBI (Z)2,3-Didehydrobutyrine ChEBI 2-Ammoniobut-2-enoate ChEBI Anhydrothreonine ChEBI (2Z)-2-Aminobut-2-enoate Generator 2-Ammoniobut-2-enoic acid Generator a,b-Dehydroaminobutyrate Generator a,b-Dehydroaminobutyric acid Generator alpha,beta-Dehydroaminobutyrate Generator Α,β-dehydroaminobutyrate Generator Α,β-dehydroaminobutyric acid Generator alpha,beta-Dehydroaminobutyric acid ChEBI 2-Aminobut-2-enoic acid Generator a,b-DHABA MeSH alpha, beta-Dehydroaminobutyric acid MeSH alpha, beta-Dehydroaminobutyric acid, (e)-isomer MeSH
Chemical Formula C4 H7 NO2 Average Molecular Weight 101.1039 Monoisotopic Molecular Weight 101.047678473 IUPAC Name Not Available Traditional Name Not Available CAS Registry Number 71018-10-5 SMILES Not Available InChI Identifier InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2H,5H2,1H3,(H,6,7)/b3-2-
InChI Key PAWSVPVNIXFKOS-IHWYPQMZSA-N Chemical Taxonomy Description Belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Kingdom Organic compounds Super Class Organic acids and derivatives Class Carboxylic acids and derivatives Sub Class Amino acids, peptides, and analogues Direct Parent Alpha amino acids Alternative Parents Substituents Alpha-amino acid
Unsaturated fatty acid
Fatty acid
Fatty acyl
Amino acid
Carboxylic acid
Enamine
Monocarboxylic acid or derivatives
Organic oxygen compound
Primary amine
Organooxygen compound
Organonitrogen compound
Amine
Primary aliphatic amine
Organic nitrogen compound
Carbonyl group
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
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 DB03720 Phenol Explorer Compound ID Not Available FooDB ID Not Available KNApSAcK ID Not Available Chemspider ID Not Available KEGG Compound ID C17234 BioCyc ID Not Available BiGG ID Not Available Wikipedia Link Not Available METLIN ID Not Available PubChem Compound 6449989 PDB ID Not Available ChEBI ID 18820 Food Biomarker Ontology Not Available References Synthesis Reference Not Available General References Sajed T, Marcu A, Ramirez M, Pon A, Guo AC, Knox C, Wilson M, Grant JR, Djoumbou Y, Wishart DS: ECMDB 2.0: A richer resource for understanding the biochemistry of E. coli. Nucleic Acids Res. 2016 Jan 4;44(D1):D495-501. doi: 10.1093/nar/gkv1060. Epub 2015 Oct 19. [PubMed:26481353 ]
