| Record Information |
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| Version | 1.0 |
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| Creation Date | 2020-03-25 17:56:35 UTC |
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| Update Date | 2020-04-22 19:08:14 UTC |
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| BMDB ID | BMDB0098036 |
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| Secondary Accession Numbers | None |
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| Metabolite Identification |
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| Common Name | TG(15:0/18:1(11Z)/22:2(13Z,16Z)) |
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| Description | TG(15:0/18:1(11Z)/22:2(13Z,16Z)) belongs to the family of triradyglycerols, which are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. Their general formula is [R1]OCC(CO[R2])O[R3]. TG(15:0/18:1(11Z)/22:2(13Z,16Z)) is made up of one pentadecanoyl(R1), one 11Z-octadecenoyl(R2), and one 13Z,16Z-docosadienoyl(R3). |
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| Structure | |
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| Synonyms | | Value | Source |
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| 1-Pentadecanoyl-2-(11Z-octadecenoyl)-3-(13Z,16Z-docosadienoyl)-glycerol | HMDB | | 1-Pentadecanoyl-2-vaccenoyl-3-docosadienoyl-glycerol | HMDB | | TAG(15:0/18:1/22:2) | HMDB | | TAG(55:3) | HMDB | | TG(15:0/18:1/22:2) | HMDB | | TG(55:3) | HMDB | | Tracylglycerol(15:0/18:1/22:2) | HMDB | | Tracylglycerol(55:3) | HMDB | | Triacylglycerol | HMDB | | Triglyceride | HMDB | | TG(15:0/18:1(11Z)/22:2(13Z,16Z)) | Lipid Annotator |
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| Chemical Formula | C58H106O6 |
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| Average Molecular Weight | 899.48 |
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| Monoisotopic Molecular Weight | 898.798941133 |
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| IUPAC Name | (2S)-2-[(11Z)-octadec-11-enoyloxy]-3-(pentadecanoyloxy)propyl (13Z,16Z)-docosa-13,16-dienoate |
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| Traditional Name | (2S)-2-[(11Z)-octadec-11-enoyloxy]-3-(pentadecanoyloxy)propyl (13Z,16Z)-docosa-13,16-dienoate |
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| CAS Registry Number | Not Available |
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| SMILES | [H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC |
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| InChI Identifier | InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,55H,4-15,17-18,21-22,24,26,28-54H2,1-3H3/b19-16-,23-20-,27-25-/t55-/m0/s1 |
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| InChI Key | PGPUQOBIJOUZAP-HNBAGWGBSA-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 | Not Available |
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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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