Record Information |
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Version | 2.0 |
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Created at | 2024-09-11 18:10:26 UTC |
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Updated at | 2024-09-11 18:10:27 UTC |
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NP-MRD ID | NP0338837 |
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Secondary Accession Numbers | None |
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Natural Product 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). TG(18:2(9Z,12Z)/14:0/18:3(9Z,12Z,15Z))[iso6] can be biosynthesized from DG(18:2(9Z,12Z)/14:0/0:0) And α-linolenoyl-CoA through its interaction with the enzyme diacylglycerol O-acyltransferase. In humans, TG(18:2(9Z,12Z)/14:0/18:3(9Z,12Z,15Z))[iso6] is involved in the metabolic disorder called de novo triacylglycerol biosynthesis pathway. |
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Structure | [H][C@@](COC(=O)CCCCCCCC=CCC=CCCCCC)(COC(=O)CCCCCCCC=CCC=CCC=CCC)OC(=O)CCCCCCCCCCCCC 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/t50-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C53H92O6 |
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Average Mass | 825.2940 Da |
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Monoisotopic Mass | 824.68939 Da |
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IUPAC Name | (2R)-3-(octadeca-9,12-dienoyloxy)-2-(tetradecanoyloxy)propyl octadeca-9,12,15-trienoate |
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Traditional Name | (2R)-3-(octadeca-9,12-dienoyloxy)-2-(tetradecanoyloxy)propyl octadeca-9,12,15-trienoate |
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CAS Registry Number | Not Available |
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SMILES | [H][C@@](COC(=O)CCCCCCCC=CCC=CCCCCC)(COC(=O)CCCCCCCC=CCC=CCC=CCC)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/t50-/m0/s1 |
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InChI Key | XZZYDJMYMONZAX-DPDRHGIRSA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | Not Available |
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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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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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