Record Information |
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Version | 1.0 |
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Creation Date | 2014-09-11 05:21:33 UTC |
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Update Date | 2016-11-09 01:09:14 UTC |
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Accession Number | CHEM003858 |
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Identification |
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Common Name | Methyl linoleate |
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Class | Small Molecule |
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Description | Methyl linoleate is found in cloves. Methyl linoleate is a mixture with CNB89-S (*FEMA 3411*) is used as a flavouring ingredient
Methyl linoleate belongs to the family of Lineolic Acids and Derivatives. These are derivatives of lineolic acid. |
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Contaminant Sources | - FooDB Chemicals
- HPV EPA Chemicals
- T3DB toxins
- ToxCast & Tox21 Chemicals
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Contaminant Type | - Ester
- Ether
- Flavouring Agent
- Food Toxin
- Household Toxin
- Metabolite
- Natural Compound
- Organic Compound
- Plant Toxin
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Chemical Structure | |
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Synonyms | Value | Source |
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1-O-Methyl-(9Z,12Z)-octadecadienoate | ChEBI | Linoleic acid methyl ester | ChEBI | Methyl 9-cis,12-cis-octadecadienoate | ChEBI | 1-O-Methyl-(9Z,12Z)-octadecadienoic acid | Generator | Linoleate methyl ester | Generator | Methyl 9-cis,12-cis-octadecadienoic acid | Generator | Methyl linoleic acid | Generator | 1-O-Methyl (9Z,12Z)-octadecadienoate | HMDB | 1-O-Methyl (9Z,12Z)-octadecadienoic acid | HMDB | Methyl linoleate, (Z,e)-isomer | HMDB | Methyl linoleate, 1-(14)C-labeled, (Z,Z)-isomer | HMDB | Methyl linoleate, (e,Z)-isomer | HMDB | Methyl linoleate, (e,e)-isomer | HMDB | (9Z,12Z)-9,12-Octadecadienoic acid methyl ester | HMDB | (9Z,12Z)-Octadecadienoic acid methyl ester | HMDB | (Z,Z)-9,12-Octadecadienoic acid methyl ester | HMDB | Methyl (9Z,12Z)-octadeca-9,12-dienoate | HMDB | Methyl (9Z,12Z)-octadecadienoate | HMDB | Methyl (Z,Z)-9,12-octadecadienoate | HMDB | Methyl cis,cis-9,12-octadecadienoate | HMDB | Methyl cis-9,cis-12 linoleate | HMDB | Methyl cis-9,cis-12-octadecadienoate | HMDB | Methyl octadec-9,12-dienoate | HMDB | Methyl linoleate | HMDB |
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Chemical Formula | C19H34O2 |
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Average Molecular Mass | 294.472 g/mol |
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Monoisotopic Mass | 294.256 g/mol |
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CAS Registry Number | 112-63-0 |
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IUPAC Name | methyl (9Z,12Z)-octadeca-9,12-dienoate |
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Traditional Name | methyl linoleate |
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SMILES | CCCCC\C=C/C\C=C\CCCCCCCC(=O)OC |
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InChI Identifier | InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10+ |
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InChI Key | WTTJVINHCBCLGX-QEFCTBRHSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as lineolic acids and derivatives. These are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions. |
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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 | Lineolic acids and derivatives |
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Direct Parent | Lineolic acids and derivatives |
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Alternative Parents | |
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Substituents | - Octadecanoid
- Fatty acid methyl ester
- Fatty acid ester
- Methyl ester
- Carboxylic acid ester
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | |
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Biological Properties |
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Status | Detected and Not Quantified |
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Origin | Exogenous |
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Cellular Locations | |
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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 | Liquid |
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Appearance | Not Available |
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Experimental Properties | Property | Value |
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Melting Point | -35 °C | Boiling Point | Not Available | Solubility | Not Available |
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Predicted Properties | |
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Spectra |
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Spectra | |
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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) | No indication of carcinogenicity to humans (not listed by IARC). |
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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 | Not Available |
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HMDB ID | HMDB0034381 |
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FooDB ID | Not Available |
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Phenol Explorer ID | Not Available |
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KNApSAcK ID | C00030757 |
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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 | Not Available |
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Chemspider ID | 4447491 |
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ChEBI ID | 69080 |
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PubChem Compound ID | 5284421 |
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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 | |
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