Glyceryl tridocosahexaenoate
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Basic information
- CAS
11094-59-0- Standard SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC(COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC- InChIKey
SOFMPBOQLPVEQZ-LBUXZKOBSA-N- Molecular formula
- C69H98O6
- Average molar mass
- 1,023.5 g/mol
- Monoisotopic mass
- 1,022.73634084
Overview
1,2,3-tricervonoylglycerol is a triglyceride. It is functionally related to a (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate.
Names & identifiers
- Preferred name
- Glyceryl tridocosahexaenoate
- IUPAC
- 2,3-bis[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
- English name
- TRIDOCOSAHEXAENOIN
- Molecular formula
- C69H98O6
- Molecular weight
- 1023.51
Names & synonyms
TridocosahexaenoylglycerolGlyceryl tridocosahexaenoate124596-98-14,7,10,13,16,19-Docosahexaenoic acid, 1,2,3-propanetriyl ester, (all-z)-All-cis-4,7,10,13,16,19-docosahexaenoic acid (22:6)esterified to glycerol679339435D4,7,10,13,16,19-Docosahexaenoic acid, 1,1',1''-(1,2,3-propanetriyl) ester, (4Z,4'Z,4''Z,7Z,7'Z,7''Z,10Z,10'Z,10''Z,13Z,13'Z,13''Z,16Z,16'Z,16''Z,19Z,19'Z,19''z)-4,7,10,13,16,19-Docosahexaenoic acid, 1,2,3-propanetriyl ester, (4Z,4'Z,4''Z,7Z,7'Z,7''Z,10Z,10'Z,10''Z,13Z,13'Z,13''Z,16Z,16'Z,16''Z,19Z,19'Z,19''z)-RefChem:1085939Tridocosahexaenoin11094-59-0starbld0028938
Show more names
Tridocosahexaenoin(C22:6)C22:6n3 TridocosahexaenoinTridocosahexaenoin (Standard)1,2,3-Tridocosahexaenoyl GlycerolTriglycerides of docosahexaenoic acidDocosahexaenoic acid 1,2,3-propanetriyl esterTridocosahexaenoin(cis-4,7,10,13,16,19)(C22:6)Docosahexaenoic acid,1,1',1''-(1,2,3-propanetriyl) ester
Properties
Computed structural propertiesFilling in
- XLogP
- 19.2
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 50
- Heavy atoms
- 75
- Formal charge
- 0
- Complexity
- 1,850
Experimental & physicochemical properties
LipidsLipids -> Glycerolipids [GL] -> Triradylglycerols [GL03] -> Triacylglycerols [GL0301]
Physicochemical properties
- solubility
- Chloroform: miscible
- Symbol(GHS)
- 6 · GHS06,GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 302 · H302-H310-H331-H315-H319-H351-H361-H372
- Precautionary statements
- 201 · P201-P202-P260-P262-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P310-P308+P313-P321-P314-P330-P361+P364-P332+P313-P337+P313-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS07,GHS08
- Hazard statements
- H302-H310-H331-H315-H319-H351-H361-H372
- Precautionary statements
- P201-P202-P260-P262-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P310-P308+P313-P321-P314-P330-P361+P364-P332+P313-P337+P313-P403+P233-P405-P501
Chemistry & industry
Applications
Description1,2,3-Tridocosahexaenoyl glycerol is a triacylglycerol that contains docosahexaenoic acid (DHA) at the sn-1, sn-2, and sn-3 positions. It has been found in fish oils.
UsesTridocosahexaenoin is a triacylglycerol with anti-autoxidative properties[1].
Additional notes
DefinitionChEBI: 1,2,3-tricervonoylglycerol is a triglyceride. It is functionally related to a (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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