ChemicalBook--->CAS DataBase List--->59403-54-2

59403-54-2

59403-54-2 Structure

59403-54-2 Structure
IdentificationBack Directory
[Name]

1-palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine
[CAS]

59403-54-2
[Synonyms]

PalMitoyldocosahexaenoyl Phosphatidylcholine
1-Palmitoyl-2-Docosahexaenoyl-sn-glycero-3-PC
1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine
(7R,12Z,15Z,18Z,21Z,24Z,27Z)-4-Hydroxy-N,N,N-triMethyl-9-oxo-7-[[(1-oxohexadecyl)oxy]Methyl]-3,5,8-trioxa-4-phosphatriaconta-12,15,18,21,24,27-hexaen-1-aMiniuM 4-Oxide
[Molecular Formula]

C46H80NO8P
[MDL Number]

MFCD00674327
[MOL File]

59403-54-2.mol
Chemical PropertiesBack Directory
[storage temp. ]

Hygroscopic, -86°C Freezer, Under inert atmosphere
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[color ]

Yellow to Dark Brown Gel to Waxy
[InChIKey]

IESVDEZGAHUQJU-ZLBXKVHBSA-N
[SMILES]

[P](=O)([O-])(OC[C@H](OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCCCCCCCCCCCCC)OCC[N+](C)(C)C
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS06,GHS07,GHS08
[Signal word ]

Danger
[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
[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
Aquatic Chronic 3
Carc. 2
Eye Irrit. 2
Repr. 2
Skin Irrit. 2
STOT RE 1
STOT SE 3
Hazard InformationBack Directory
[Uses]

Possible Cholesterol Acetyltransferase inhibitor.
[Definition]

ChEBI: A phosphatidylcholine 38:6 in which the acyl groups at C-1 and C-2 are specified as hexadecanoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively.
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