PG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Basic information
- Standard SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](O)CO- InChIKey
CLQKBJHAUYGCOB-JBZBJAAJSA-N- Molecular formula
- C46H79O10P
- Average molar mass
- 823.1 g/mol
- Monoisotopic mass
- 822.54108571
Overview
PG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) is a phosphatidylglycerol.
Names & identifiers
- Preferred name
- PG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
- IUPAC
- [(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-octadecanoyloxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Names & synonyms
PG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)RefChem:1048611SCHEMBL29463327CHEBI:89279DTXSID801372670Phosphatidylglycerol(18:0/22:6)LMGP04010040Phosphatidylglycerol(18:0/22:6n3)Phosphatidylglycerol(18:0/22:6w3)GPG(18:0/22:6n3)GPG(18:0/22:6w3)
Show more names
PG(18:0/22:6n3)PG(18:0/22:6w3)GPG(18:0/22:6)Q271614651-stearoyl-2-docosahexaenoyl-sn-glycero-3-phosphoglycerolPG 18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)PG(18:0/22:6); PG(40:6); PG(18:0_22:6)[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-octadecanoyloxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Database identifiers
- PubChem CID
- 24779554
- DTXSID
DTXSID801372670- ChEBI
CHEBI:89279
Properties
Computed structural properties
- XLogP
- 12.3
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 42
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 1,180
Experimental & physicochemical properties
Lipids
Lipids -> Ambiguous Lipids
Lipids -> Glycerophospholipids [GP] -> Glycerophosphoglycerols [GP04] -> Diacylglycerophosphoglycerols [GP0401]
Physical DescriptionSolid
Collision Cross Section289.1 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Sample Type: Egg (phosphatidylglycerol extract); Dataset: Ambiguous Lipids]
Chemistry & industry
Pharmacology
Tissue LocationsAll Tissues
Cellular LocationsExtracellular
Metabolite PathwaysCardiolipin Biosynthesis CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/16:1(9Z))
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Related reactions
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Compound notes
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