| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-19 03:31:45 UTC |
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| Update Date | 2016-11-09 01:14:19 UTC |
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| Accession Number | CHEM011032 |
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| Identification |
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| Common Name | 9-Octadecenoic acid (9Z)-, compd. with 2-aminoethanol (1:1) |
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| Class | Small Molecule |
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| Description | Ethanolamine oleate is a mild sclerosing agent. It is composed of ethanolamine, a basic substance, which when combined with oleic acid forms a clear, straw to pale yellow colored, deliquescent oleate. |
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| Contaminant Sources | - HMDB Contaminants - Urine
- HPV EPA Chemicals
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| Monoethanolamine oleate | Kegg | | Ethamolin | Kegg | | Oldamin | Kegg | | Monoethanolamine oleic acid | Generator | | Ethanolamine oleic acid | Generator | | beta-Hydroxyethylammonium oleate | HMDB | | cis-9-Octadecenoic acid, ethanolamine salt | HMDB | | Oleic acid, 2-aminoethyl ester | MeSH | | Ethanolamine oleate | MeSH | | (9Z)-Octadec-9-enoate | | | 2-aminoethan-1-ol | |
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| Chemical Formula | C20H41NO3 |
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| Average Molecular Mass | 343.544 g/mol |
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| Monoisotopic Mass | 343.309 g/mol |
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| CAS Registry Number | 2272-11-9 |
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| IUPAC Name | (9Z)-octadec-9-enoic acid; 2-aminoethan-1-ol |
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| Traditional Name | ethanolamine; oleic acid |
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| SMILES | NCCO.CCCCCCCC\C=C/CCCCCCCC(O)=O |
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| InChI Identifier | InChI=1S/C18H34O2.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3-1-2-4/h9-10H,2-8,11-17H2,1H3,(H,19,20);4H,1-3H2/b10-9-; |
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| InChI Key | KGWDUNBJIMUFAP-KVVVOXFISA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Fatty Acyls |
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| Sub Class | Fatty acids and conjugates |
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| Direct Parent | Long-chain fatty acids |
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| Alternative Parents | |
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| Substituents | - Long-chain fatty acid
- Unsaturated fatty acid
- Straight chain fatty acid
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aliphatic acyclic compound
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| Molecular Framework | Not Available |
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| External Descriptors | Not Available |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Not Available |
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| Cellular Locations | Not Available |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Appearance | Not Available |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS ( TMS) - 70eV, Positive | splash10-001i-9100000000-e2cbdef448451ceae424 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0006-0009000000-7a39d2ea52a4892093c7 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0006-0009000000-7a39d2ea52a4892093c7 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-0009000000-7a39d2ea52a4892093c7 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0006-0009000000-7549513ded94c90c45ad | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0006-0009000000-7549513ded94c90c45ad | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-0009000000-7549513ded94c90c45ad | Spectrum |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | Not Available |
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| Uses/Sources | Not Available |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | DB06689 |
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| HMDB ID | HMDB0015638 |
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| FooDB ID | Not Available |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Ethanolamine |
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| Chemspider ID | Not Available |
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| ChEBI ID | Not Available |
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| PubChem Compound ID | 5282489 |
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| Kegg Compound ID | Not Available |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | Not Available |
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