Glyceryl triclupanodonate
Basic information
- CAS
370066-49-2- Standard SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OCC(COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC- InChIKey
DGICWFCKGUURMM-UZBXBHHFSA-N- Molecular formula
- C69H104O6
- Average molar mass
- 1,029.6 g/mol
- Monoisotopic mass
- 1,028.78329103
Names & identifiers
- Preferred name
- Glyceryl triclupanodonate
- IUPAC
- 2,3-bis[[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]oxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
Names & synonyms
Glyceryl triclupanodonate370066-49-2EJT8YKB9MMUNII-EJT8YKB9MMGlyceryl 7,10,13,16,19-tridocosapentaenoate7,10,13,16,19-Docosapentaenoic acid, 1,2,3-propanetriyl ester, (all-z)-TG(22:5/22:5/22:5)1,2,3-tri-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-glycerolTridocosapentaenoin2,3-bis[[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]oxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoateTG(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))LMGL03012605
Show more names
orb3177997Q278871971-Docosapentaenoyl-2-docosapentaenoyl-3-docosapentaenoyl-glycerol1-(7Z,10Z,13Z,16Z,19Z-Docosapentaenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-3-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-glycerolTG 22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)
Database identifiers
- CAS
370066-49-2- PubChem CID
- 9546563
- UNII
- EJT8YKB9MM
Properties
Computed structural properties
- XLogP
- 20.7
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 53
- Heavy atoms
- 75
- Formal charge
- 0
- Complexity
- 1,710
Experimental & physicochemical properties
LipidsLipids -> Glycerolipids [GL] -> Triradylglycerols [GL03] -> Triacylglycerols [GL0301]
LogP21.5
Physical DescriptionSolid
Collision Cross Section332.59 Ų [M+NH4]+ [CCS Type: TIMS; Method: single field calibrated]
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Metabolite PathwaysDe Novo Triacylglycerol Biosynthesis TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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