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206059-98-5

206059-98-5 Structure

206059-98-5 Structure
IdentificationBack Directory
[Name]

C18(PLASM)-22:6 PE
[CAS]

206059-98-5
[Synonyms]

C18(PLASM)-22:6 PE
[Molecular Formula]

C45H78NO7P
[MDL Number]

MFCD22416836
[MOL File]

206059-98-5.mol
[Molecular Weight]

776.09
Chemical PropertiesBack Directory
[Boiling point ]

783.8±70.0 °C(Predicted)
[density ]

1.001±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

Chloroform: 1 mg/ml
[form ]

liquid
[pka]

1.18±0.50(Predicted)
[InChIKey]

FIJFPUAJUDAZEY-MNDXXDKYSA-N
[SMILES]

[H][C@@](COP([O-])(OCC[NH3+])=O)(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)CO/C=C\CCCCCCCCCCCCCCCC
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)Health Hazard (GHS08)
GHS06,GHS08
[Signal word ]

Danger
[Hazard statements ]

H302-H315-H319-H331-H336-H351-H361d-H372
[Precautionary statements ]

P202-P301+P312-P302+P352-P304+P340+P311-P305+P351+P338-P308+P313
[WGK Germany ]

WGK 3
[Storage Class]

6.1D - Non-combustible acute toxic Cat.3
toxic hazardous materials or hazardous materials causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Inhalation
Acute Tox. 4 Oral
Carc. 2
Eye Irrit. 2
Repr. 2
Skin Irrit. 2
STOT RE 1 Oral
STOT SE 3
Hazard InformationBack Directory
[Uses]

C18(Plasm)-22:6 PE has been used as a standard in liquid chromatography?mass spectrometry (LC-MS) method. It has also been used as a component of plasmalogen in cholesterol efflux capacity studies.
[Definition]

ChEBI: 1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine is a 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine in which the alk-1-enyl and acyl groups are specified as (1Z)-octadecenyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively. It is functionally related to an all-cis-docosa-4,7,10,13,16,19-hexaenoic acid. It is a tautomer of a 1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine zwitterion.
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