N-(2-Carboxyethyl)-N-(1-oxooctadecyl)-beta-alanine (CHEM070758)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-04 02:29:01 UTC | ||||||||
| Update Date | 2026-04-04 02:29:01 UTC | ||||||||
| Accession Number | CHEM070758 | ||||||||
| Identification | |||||||||
| Common Name | N-(2-Carboxyethyl)-N-(1-oxooctadecyl)-beta-alanine | ||||||||
| Class | Small Molecule | ||||||||
| Description | N-(2-Carboxyethyl)-N-(1-oxooctadecyl)-beta-alanine belongs to the fatty amides, a subclass of fatty acyls within the organic compounds. This lipid-like molecule has the chemical formula C24H45N1O5 and an average molecular weight of 427.63 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C24H45N1O5 | ||||||||
| Average Molecular Mass | 427.626 g/mol | ||||||||
| Monoisotopic Mass | 427.330 g/mol | ||||||||
| CAS Registry Number | 50695-81-3 | ||||||||
| IUPAC Name | 3-[2-carboxyethyl(octadecanoyl)amino]propanoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCCCCCCCCCCCCCCC(=O)N(CCC(O)=O)CCC(O)=O | ||||||||
| InChI Identifier | InChI=1S/C24H45NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25(20-18-23(27)28)21-19-24(29)30/h2-21H2,1H3,(H,27,28)(H,29,30) | ||||||||
| InChI Key | HYHKJBUKZOXUSV-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| 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 | ||||||||
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| 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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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
