Record Information |
---|
Version | 2.0 |
---|
Created at | 2024-09-12 01:13:41 UTC |
---|
Updated at | 2024-09-12 01:13:41 UTC |
---|
NP-MRD ID | NP0340057 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | TG(14:0/16:0/18:3(6Z,9Z,12Z))[iso6] |
---|
Description | TG(14:0/16:0/18:3(6Z,9Z,12Z)), also known as tag(14:0/16:0/18:3) Or tag(48:3), 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(14:0/16:0/18:3(6Z,9Z,12Z)) is an extremely weak basic (essentially neutral) compound (based on its pKa). TG(14:0/16:0/18:3(6Z,9Z,12Z)) can be biosynthesized from DG(14:0/16:0/0:0) And γ-linolenoyl-CoA; which is catalyzed by the enzyme diacylglycerol O-acyltransferase. In humans, TG(14:0/16:0/18:3(6Z,9Z,12Z)) is involved in the metabolic disorder called de novo triacylglycerol biosynthesis pathway. |
---|
Structure | [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,24-25,29,32,48H,4-15,17-18,20-23,26-28,30-31,33-47H2,1-3H3/b19-16-,25-24-,32-29-/t48-/m0/s1 |
---|
Synonyms | Value | Source |
---|
1-Myristoyl-2-palmitoyl-3-g-linolenoyl-glycerol | HMDB | 1-Tetradecanoyl-2-hexadecanoyl-3-(6Z,9Z,12Z-octadecatrienoyl)-glycerol | HMDB | TAG(14:0/16:0/18:3) | HMDB | TAG(48:3) | HMDB | TG(14:0/16:0/18:3) | HMDB | TG(48:3) | HMDB | Tracylglycerol(14:0/16:0/18:3) | HMDB | Tracylglycerol(48:3) | HMDB | Triacylglycerol | HMDB | Triglyceride | HMDB | TG(14:0/16:0/18:3(6Z,9Z,12Z)) | Lipid Annotator |
|
---|
Chemical Formula | C51H92O6 |
---|
Average Mass | 801.2910 Da |
---|
Monoisotopic Mass | 800.68939 Da |
---|
IUPAC Name | (2S)-2-(hexadecanoyloxy)-3-(tetradecanoyloxy)propyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate |
---|
Traditional Name | (2S)-2-(hexadecanoyloxy)-3-(tetradecanoyloxy)propyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate |
---|
CAS Registry Number | Not Available |
---|
SMILES | [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC |
---|
InChI Identifier | InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,24-25,29,32,48H,4-15,17-18,20-23,26-28,30-31,33-47H2,1-3H3/b19-16-,25-24-,32-29-/t48-/m0/s1 |
---|
InChI Key | ROOGPSPBLOJPPQ-MMNSDLEGSA-N |
---|
Experimental Spectra |
---|
|
| Not Available | Predicted Spectra |
---|
|
| Not Available | Chemical Shift Submissions |
---|
|
| Not Available | Species |
---|
Species of Origin | Not Available |
---|
Chemical Taxonomy |
---|
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. |
---|
Kingdom | Organic compounds |
---|
Super Class | Lipids and lipid-like molecules |
---|
Class | Glycerolipids |
---|
Sub Class | Triradylcglycerols |
---|
Direct Parent | Triacylglycerols |
---|
Alternative Parents | |
---|
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
|
---|
Molecular Framework | Aliphatic acyclic compounds |
---|
External Descriptors | Not Available |
---|
Physical Properties |
---|
State | Not Available |
---|
Experimental Properties | Property | Value | Reference |
---|
Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
|
---|
Predicted Properties | |
---|