4-[(2-Cyclohex-1-enylethyl)amino]-4-oxobut-2-enoic acid (CHEM059955)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-03 01:58:59 UTC | ||||||||
| Update Date | 2026-04-03 01:58:59 UTC | ||||||||
| Accession Number | CHEM059955 | ||||||||
| Identification | |||||||||
| Common Name | 4-[(2-Cyclohex-1-enylethyl)amino]-4-oxobut-2-enoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 4-[(2-Cyclohex-1-enylethyl)amino]-4-oxobut-2-enoic acid belongs to the fatty amides, a subclass of fatty acyls within the organic compounds. This compound is categorized under the superclass of lipids and lipid-like molecules and has the chemical formula C12H17N1O3. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C12H17N1O3 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 223.121 g/mol | ||||||||
| CAS Registry Number | 329049-91-4 | ||||||||
| IUPAC Name | (E)-4-[2-(cyclohexen-1-yl)ethylamino]-4-oxobut-2-enoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1S/C12H17NO3/c14-11(6-7-12(15)16)13-9-8-10-4-2-1-3-5-10/h4,6-7H,1-3,5,8-9H2,(H,13,14)(H,15,16)/b7-6+ | ||||||||
| InChI Key | DUMIYBZROAZLRP-VOTSOKGWSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Description | belongs to the class of organic compounds known as n-acyl amines. N-acyl amines are compounds containing a fatty acid moiety linked to an amine group through an ester linkage. | ||||||||
| Kingdom | Organic compounds | ||||||||
| Super Class | Lipids and lipid-like molecules | ||||||||
| Class | Fatty Acyls | ||||||||
| Sub Class | Fatty amides | ||||||||
| Direct Parent | N-acyl amines | ||||||||
| Alternative Parents | |||||||||
| Substituents |
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| Molecular Framework | Aliphatic homomonocyclic compounds | ||||||||
| External Descriptors | Not Available | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra | Not Available | ||||||||
| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
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| External Links | |||||||||
| DrugBank ID | Not Available | ||||||||
| HMDB ID | Not Available | ||||||||
| FooDB ID | Not Available | ||||||||
| Phenol Explorer ID | Not Available | ||||||||
| KNApSAcK ID | Not Available | ||||||||
| BiGG ID | Not Available | ||||||||
| BioCyc ID | Not Available | ||||||||
| METLIN ID | Not Available | ||||||||
| PDB ID | Not Available | ||||||||
| Wikipedia Link | Not Available | ||||||||
| Chemspider ID | Not Available | ||||||||
| ChEBI ID | Not Available | ||||||||
| PubChem Compound ID | 5890451 | ||||||||
| Kegg Compound ID | Not Available | ||||||||
| YMDB ID | Not Available | ||||||||
| ECMDB ID | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
