| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-10-03 18:07:26 UTC |
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| Update Date | 2020-05-11 19:25:39 UTC |
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| BMDB ID | BMDB0010471 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | TG(18:2(9Z,12Z)/14:0/18:3(9Z,12Z,15Z))[iso6] |
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| Description | TG(18:2(9Z,12Z)/14:0/18:3(9Z,12Z,15Z))[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)/14:0/18:3(9Z,12Z,15Z))[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-myristoyl-3-a-linolenoyl-glycerol | HMDB | | 1-Linoleoyl-2-myristoyl-3-alpha-linolenoyl-glycerol | HMDB | | TAG(18:2/14:0/18:3) | HMDB | | TAG(18:2n6/14:0/18:3n3) | HMDB | | TAG(18:2W6/14:0/18:3W3) | HMDB | | TAG(50:5) | HMDB | | TG(18:2/14:0/18:3) | HMDB | | TG(18:2n6/14:0/18:3n3) | HMDB | | TG(18:2W6/14:0/18:3W3) | HMDB | | TG(50:5) | HMDB | | Tracylglycerol(18:2/14:0/18:3) | HMDB | | Tracylglycerol(18:2n6/14:0/18:3n3) | HMDB | | Tracylglycerol(18:2W6/14:0/18:3W3) | HMDB | | Tracylglycerol(50:5) | HMDB | | Triacylglycerol | HMDB | | Triglyceride | HMDB | | (2R)-3-[(9Z,12Z)-Octadeca-9,12-dienoyloxy]-2-(tetradecanoyloxy)propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid | Generator |
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| Chemical Formula | C53H92O6 |
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| Average Molecular Weight | 825.294 |
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| Monoisotopic Molecular Weight | 824.689390676 |
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| IUPAC Name | (2R)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-2-(tetradecanoyloxy)propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate |
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| Traditional Name | (2R)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-2-(tetradecanoyloxy)propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate |
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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)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC |
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| InChI Identifier | InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,50H,4-6,8-9,11-15,18,21-23,28-49H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-/t50-/m0/s1 |
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| InChI Key | XZZYDJMYMONZAX-QLFKCXFRSA-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
- Octadecanoid
- 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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