Compound Identification
SMILES
CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F.CCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(O)CO)OC(=O)CCCCCCC\C=C/CCCCCCCC
InChIKey
InChIKey=DBTKZSCZMCFISX-YWRFHIIBSA-N
Formula
C97H171F3N4O20P2S
Mass
1864.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Glycerophospholipids
-
Subclass
Glycerophosphocholines
- Level 5 Phosphatidylcholines
-
Subclass
Glycerophosphocholines
-
Class
Glycerophospholipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Glycerophospholipids
Subclass
Glycerophosphocholines
Intermediate Tree Nodes
Not available
Direct Parent
Phosphatidylcholines
Alternative Parents
Phosphatidylglycerols Phenylpyrazoles Phosphocholines Benzenesulfonamides Benzenesulfonyl compounds Toluenes Dialkyl phosphates Fatty acid esters Dicarboxylic acids and derivatives Organosulfonamides Heteroaromatic compounds Tetraalkylammonium salts Aminosulfonyl compounds Carboxylic acid esters 1,2-diols Secondary alcohols Azacyclic compounds Organic oxides Hydrocarbon derivatives Alkyl fluorides Primary alcohols Carbonyl compounds Amines Organic salts Organofluorides Organic cations
Molecular Framework
Not available
Substituents
Diacylglycero-3-phosphocholine - 1,2-diacylglycerophosphoglycerol - Phenylpyrazole - Phosphocholine - Benzenesulfonamide - Benzenesulfonyl group - Choline - Fatty acid ester - Toluene - Dialkyl phosphate - Organic phosphoric acid derivative - Benzenoid - Fatty acyl - Phosphoric acid ester - Alkyl phosphate - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Organosulfonic acid amide - Heteroaromatic compound - Azole - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Quaternary ammonium salt - Pyrazole - Tetraalkylammonium salt - 1,2-diol - Carboxylic acid ester - Secondary alcohol - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Organofluoride - Organic oxygen compound - Organohalogen compound - Alcohol - Organic oxide - Hydrocarbon derivative - Primary alcohol - Carbonyl group - Organic nitrogen compound - Alkyl fluoride - Alkyl halide - Amine - Organic salt - Organonitrogen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phosphatidylcholines. These are glycerophosphocholines in which the two free -OH are attached to one fatty acid each through an ester linkage.
External Descriptors
Not available