| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:34:01 UTC |
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| Update Date | 2020-05-11 18:29:48 UTC |
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| BMDB ID | BMDB0007272 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | DG(18:3(6Z,9Z,12Z)/16:0/0:0) |
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| Description | DG(18:3(6Z,9Z,12Z)/16:0/0:0), also known as diacylglycerol or DAG(18:3/16:0), 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. Thus, DG(18:3(6Z,9Z,12Z)/16:0/0:0) is considered to be a diradylglycerol lipid molecule. DG(18:3(6Z,9Z,12Z)/16:0/0:0) is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 1-g-Linolenoyl-2-palmitoyl-sn-glycerol | HMDB | | 1-gamma-Linolenoyl-2-palmitoyl-sn-glycerol | HMDB | | DAG(18:3/16:0) | HMDB | | DAG(18:3N6/16:0) | HMDB | | DAG(18:3W6/16:0) | HMDB | | DAG(34:3) | HMDB | | DG(18:3/16:0) | HMDB | | DG(18:3N6/16:0) | HMDB | | DG(18:3W6/16:0) | HMDB | | DG(34:3) | HMDB | | Diacylglycerol | HMDB | | Diacylglycerol(18:3/16:0) | HMDB | | Diacylglycerol(18:3n6/16:0) | HMDB | | Diacylglycerol(18:3W6/16:0) | HMDB | | Diacylglycerol(34:3) | HMDB | | Diglyceride | HMDB | | 1-(6Z,9Z,12Z-Octadecatrienoyl)-2-hexadecanoyl-sn-glycerol | HMDB | | DG(18:3(6Z,9Z,12Z)/16:0/0:0) | Lipid Annotator |
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| Chemical Formula | C37H66O5 |
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| Average Molecular Weight | 590.9169 |
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| Monoisotopic Molecular Weight | 590.491025222 |
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| IUPAC Name | (2S)-2-(hexadecanoyloxy)-3-hydroxypropyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate |
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| Traditional Name | diacylglycerol |
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| CAS Registry Number | Not Available |
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| SMILES | [H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC(=O)OC[C@]([H])(CO)OC(=O)CCCCCCCCCCCCCCC |
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| InChI Identifier | InChI=1S/C37H66O5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13,17-18,21,23,35,38H,3-10,12,14-16,19-20,22,24-34H2,1-2H3/b13-11-,18-17-,23-21-/t35-/m0/s1 |
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| InChI Key | NFVDEXJHCNKRNB-XEQVECQLSA-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
- 1,2-acyl-sn-glycerol
- Diacylglycerol
- Diradylglycerol
- Fatty acid ester
- Glycerolipid
- Dicarboxylic acid or derivatives
- Carboxylic acid ester
- Carboxylic acid derivative
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxygen compound
- Organic oxide
- Carbonyl group
- Primary alcohol
- Alcohol
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Status | Expected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | - Cell membrane
- Cytoplasm
- Membrane
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| Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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