| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-26 08:37:38 UTC |
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| Update Date | 2016-11-09 01:21:34 UTC |
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| Accession Number | CHEM036845 |
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| Identification |
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| Common Name | DG(20:4(5Z,8Z,11Z,14Z)/15:0/0:0) |
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| Class | Small Molecule |
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| Description | Not Available |
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| Contaminant Sources | |
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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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| (2S)-1-Hydroxy-3-[(8E,11Z,14E)-icosa-8,11,14-trienoyloxy]propan-2-yl (4E,7Z,10Z,13E,16E)-docosa-4,7,10,13,16-pentaenoic acid | Generator |
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| Chemical Formula | Not Available |
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| Average Molecular Mass | Not Available |
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| Monoisotopic Mass | Not Available |
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| CAS Registry Number | Not Available |
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| IUPAC Name | (2S)-1-hydroxy-3-[(8E,11Z,14E)-icosa-8,11,14-trienoyloxy]propan-2-yl (4E,7Z,10Z,13E,16E)-docosa-4,7,10,13,16-pentaenoate |
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| Traditional Name | (2S)-1-hydroxy-3-[(8E,11Z,14E)-icosa-8,11,14-trienoyloxy]propan-2-yl (4E,7Z,10Z,13E,16E)-docosa-4,7,10,13,16-pentaenoate |
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| SMILES | Not Available |
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| InChI Identifier | Not Available |
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| InChI Key | Not Available |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as 1,2-diacylglycerols. These are diacylglycerols containing a glycerol acylated at positions 1 and 2. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Glycerolipids |
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| Sub Class | Diradylglycerols |
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| Direct Parent | 1,2-diacylglycerols |
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| Alternative Parents | |
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| Substituents | - 1,2-acyl-sn-glycerol
- Fatty acid ester
- Fatty acyl
- Dicarboxylic acid or derivatives
- Carboxylic acid ester
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Primary alcohol
- Organooxygen compound
- Carbonyl group
- Alcohol
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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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 LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03du-1039004000-113750f3d95d5a808508 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03dr-2089032000-a5143a5228a448247f03 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03ds-1092131000-6f84cac6add0e899d1bc | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0bvu-0039002000-403943ea4ddf498ce1b0 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0a4r-1049000000-2b3c7a71f90e41d9d390 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0bti-3049000000-2dad9961e6a3e1e6f699 | 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 | Not Available |
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| HMDB ID | Not Available |
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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 | Not Available |
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| Chemspider ID | Not Available |
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| ChEBI ID | Not Available |
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| PubChem Compound ID | Not Available |
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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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