1-Stearoyl-sn-glycero-3-phosphocholine

Details

• Internal ID: 3618d4d5-60b4-4f29-be87-d5c113f50b74
• Taxonomy: Lipids and lipid-like molecules > Glycerophospholipids > Glycerophosphocholines > Lysophosphatidylcholines > 1-acyl-sn-glycero-3-phosphocholines
• IUPAC Name: [(2R)-2-hydroxy-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
• InChI: InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1
• InChI Key: IHNKQIMGVNPMTC-RUZDIDTESA-N
• Popularity: 125 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₆H₅₄NO₇P
• Molecular Weight: 523.70 g/mol
• Exact Mass: 523.36379006 g/mol
• Topological Polar Surface Area (TPSA): 105.00 Ų
• XlogP: 6.60

Synonyms

• 19420-57-6
• 1-octadecanoyl-sn-glycero-3-phosphocholine
• 1-stearoyl-lysophosphatidylcholine
• 18:0 Lyso PC
• 1-Stearoyl-sn-glycero-3-phosphorylcholine
• LPC(18:0/0:0)
• 1-Octadecanoyllysolecithin
• 18:0 LYSO-PC
• CHEBI:73858
• PC(18:0/0:0)
• 1-stearoyl-glycero-3-phosphocholine
• [(2R)-2-hydroxy-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
• 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium,4,7-dihydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (7R)-
• 1-O-Stearoyl-sn-glycero-3-phosphocholine
• 1-Stearoyl-sn-glycerol-3-phosphorylcholine
• (R)-2-Hydroxy-3-(stearoyloxy)propyl (2-(trimethylammonio)ethyl) phosphate
• 1-Octadecanoyl-sn-glycerol-3-phosphorylcholine
• LPC 18:0
• 1-Stearoylglycerophosphocholine
• Stearin, 1-mono-, 3-(dihydrogen phosphate), monoester with choline hydroxide, inner salt, L-
• Stearoyl lyso-phosphocholine
• stearoyl L-alpha-lysolecithin
• MFCD00050427
• lysophosphatidylcholine (18:0)
• 1-Stearoyl-2-hydroxy-sn-glycero-3-PC
• LSPC
• lysoPC a C18:0
• 2GZO7EJ6ZE
• 1-18:0-lysoPC
• 1-stearoyl-2-hydroxy-sn-glycero-3-phosphocholine
• LysoPC 18:0/0:0
• GTPL5651
• CHEMBL3093101
• LPC p-18:0
• SCHEMBL19065066
• GPCho 18:0/0:0
• GPCho(18:0/0:0)
• DTXSID101284177
• 1-18:0-2-lysophosphatidylcholine
• 1-Stearoyl-sn-3-phosphatidylcholine
• LMGP01050026
• lysophosphatidylcholine (18:0/0:0)
• LYSOPHOSPHATIDYLCHOLINE C18:0
• 1-stearoylglycerophosphocholine(18:0)
• AKOS027323602
• 1-stearoylglycerophosphocholine (18:0)
• Lyso-1-stearoyl-sn-3-phosphatidylcholine
• AS-74921
• LPC 18:0/0:0
• PD018786
• HY-125771
• CS-0099291
• T3808
• PC 18:0/0:0
• L-ALPHA-LYSOPHOSPHATIDYLCHOLINE, STEAROY
• T72010
• 1-Stearoyl-2-Hydroxy-sn-Glycero-3-Phosphatidylcholine
• Q27071327
• (R)-2-Hydroxy-3-(stearoyloxy)propyl(2-(trimethylammonio)ethyl)phosphate
• 18:0 Lyso PC, 1-stearoyl-2-hydroxy-sn-glycero-3-phosphocholine, powder
• (2-{[(2R)-2-hydroxy-3-(octadecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
• [(2R)-2-hydroxy-3-octadecanoyloxypropyl] 2-trimethylazaniumylethyl phosphate
• 2-[hydroxy-[(2R)-2-hydroxy-3-octadecanoyloxy-propoxy]phosphoryl]oxyethyl-trimethyl-ammonium
• Stearoyl Lyso-phosphocholine ,1-stearoyl-2-hydroxy-sn-glycero-3-phosphocholine
• 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (7R)-

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: 497299
• LOTUS: LTS0096485
• wikiData: Q27071327