1-Palmitoylphosphatidylcholine

Details

• Internal ID: 12e0ef3b-a760-4c94-940c-aa88d0e85423
• Taxonomy: Lipids and lipid-like molecules > Glycerophospholipids > Glycerophosphocholines > Lysophosphatidylcholines > 1-acyl-sn-glycero-3-phosphocholines
• IUPAC Name: (3-hexadecanoyloxy-2-hydroxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
• SMILES (Canonical): CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O
• SMILES (Isomeric): CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O
• InChI: InChI=1S/C24H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h23,26H,5-22H2,1-4H3
• InChI Key: ASWBNKHCZGQVJV-UHFFFAOYSA-N
• Popularity: 126 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₄H₅₀NO₇P
• Molecular Weight: 495.60 g/mol
• Exact Mass: 495.33248993 g/mol
• Topological Polar Surface Area (TPSA): 105.00 Ų
• XlogP: 5.60

Synonyms

• 1-Palmitoylphosphatidylcholine
• 1-Palmitoyl-rac-glycero-3-phosphocholine
• DL-gamma-Palmitoyl-alpha-lysolecithin
• 14863-27-5
• 1-Palmitoyl-Lysolecithin,Synthetic
• PC(16:0/0:0)[rac]
• (3-hexadecanoyloxy-2-hydroxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
• Dl-gama-palmitoyl-alpha-lysolecithin
• L-alpha-Lysophosphatidylcholine (Soy)
• Palmitoyllysolectithin
• 3-Palmitoyl-rac-glycerol-1-phosphorylcholine
• 97281-38-4
• 1-Palmitoyllysolecithin
• Palmitoyl lysophosphatidyl choline
• We 201
• alpha-(beta-Palmitoyl)-lysolecithin
• LPC 16:0
• MFCD00036904
• EINECS 241-396-7
• 1-Hexadecanoyl-rac-glycero-3-phosphocholine
• DL--Palmitoyl--lysolecithin
• 4,7-Dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphapentacosan-1-aminium inner salt, 4-oxide
• SCHEMBL9560238
• DTXSID901306323
• LMGP01050113
• MFCD00066563
• AKOS024418722
• (1)-(7-Hydroxy-4-oxido-10-oxo-3,5,9-trioxa-4-phosphapentacosyl)trimethylammonium 4-oxide
• Choline, hydroxide, dihydrogen phosphate, inner salt, 3-ester with 1-monopalmitin
• 4,7-Dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphapentacosan-1-aminium, hydroxide, inner salt, 4-oxide
• PD025807
• SY073591
• FT-0625467
• FT-0627783
• FT-0628059
• FT-0628060
• P-1130
• Choline, phosphate, 3-ester with 1-monopalmitin
• J-010928

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	98.36%	97.29%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	98.13%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	97.07%	99.17%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	95.58%	92.86%
CHEMBL2581	P07339	Cathepsin D	95.47%	98.95%
CHEMBL230	P35354	Cyclooxygenase-2	93.10%	89.63%
CHEMBL321	P14780	Matrix metalloproteinase 9	92.26%	92.12%
CHEMBL2265	P23141	Acyl coenzyme A:cholesterol acyltransferase	91.83%	85.94%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	91.40%	92.08%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	87.40%	100.00%
CHEMBL5043	Q6P179	Endoplasmic reticulum aminopeptidase 2	86.68%	91.81%
CHEMBL202	P00374	Dihydrofolate reductase	84.87%	89.92%
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	84.81%	95.17%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	84.45%	94.33%
CHEMBL4588	P22894	Matrix metalloproteinase 8	83.73%	94.66%
CHEMBL3359	P21462	Formyl peptide receptor 1	83.71%	93.56%
CHEMBL1907602	P06493	Cyclin-dependent kinase 1/cyclin B1	83.12%	91.24%
CHEMBL4227	P25090	Lipoxin A4 receptor	82.84%	100.00%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	82.26%	96.95%
CHEMBL5255	O00206	Toll-like receptor 4	81.61%	92.50%
CHEMBL340	P08684	Cytochrome P450 3A4	81.36%	91.19%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	81.35%	93.03%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	81.27%	100.00%
CHEMBL253	P34972	Cannabinoid CB2 receptor	81.01%	97.25%
CHEMBL5163	Q9NY46	Sodium channel protein type III alpha subunit	80.48%	96.90%
CHEMBL301	P24941	Cyclin-dependent kinase 2	80.46%	91.23%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 86554
• LOTUS: LTS0081435
• wikiData: Q92466416