| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-10-03 18:07:37 UTC |
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| Update Date | 2020-05-11 19:25:46 UTC |
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| BMDB ID | BMDB0010480 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | TG(18:2(9Z,12Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6] |
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| Description | TG(18:2(9Z,12Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6] belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages. TG(18:2(9Z,12Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6] is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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| Structure | |
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| Synonyms | | Value | Source |
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| 1-Linoleoyl-2-vaccenoyl-3-arachidonoyl-glycerol | HMDB | | TAG(18:2/18:1/20:4) | HMDB | | TAG(18:2n6/18:1n7/20:4n6) | HMDB | | TAG(18:2W6/18:1W7/20:4W6) | HMDB | | TAG(56:7) | HMDB | | TG(18:2/18:1/20:4) | HMDB | | TG(18:2n6/18:1n7/20:4n6) | HMDB | | TG(18:2W6/18:1W7/20:4W6) | HMDB | | TG(56:7) | HMDB | | Tracylglycerol(18:2/18:1/20:4) | HMDB | | Tracylglycerol(18:2n6/18:1n7/20:4n6) | HMDB | | Tracylglycerol(18:2W6/18:1W7/20:4W6) | HMDB | | Tracylglycerol(56:7) | HMDB | | Triacylglycerol | HMDB | | Triglyceride | HMDB | | (2R)-2-[(11Z)-Octadec-11-enoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | Generator |
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| Chemical Formula | C59H100O6 |
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| Average Molecular Weight | 905.4217 |
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| Monoisotopic Molecular Weight | 904.751990932 |
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| IUPAC Name | (2R)-2-[(11Z)-octadec-11-enoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate |
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| Traditional Name | (2R)-2-[(11Z)-octadec-11-enoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate |
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| CAS Registry Number | Not Available |
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| SMILES | [H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC |
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| InChI Identifier | InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28,30,32,34,40,43,56H,4-15,18,22-23,27,29,31,33,35-39,41-42,44-55H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,30-26-,34-32-,43-40-/t56-/m1/s1 |
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| InChI Key | CDDNQFZNAKVPCP-VNCWHJOSSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages. |
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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 | Triradylcglycerols |
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| Direct Parent | Triacylglycerols |
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| Alternative Parents | |
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| Substituents | - Triacyl-sn-glycerol
- Tricarboxylic acid or derivatives
- Fatty acid ester
- Fatty acyl
- Carboxylic acid ester
- 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 | Not Available |
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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 | - Adiposome
- Cell membrane
- 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 | Not Available |
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