1-Myristoyl-sn-glycero-3-phosphocholine

Details

• Internal ID: 3cb7b816-3fda-43de-a120-d725cda164e4
• Taxonomy: Lipids and lipid-like molecules > Glycerophospholipids > Glycerophosphocholines > Lysophosphatidylcholines > 1-acyl-sn-glycero-3-phosphocholines
• IUPAC Name: [(2R)-2-hydroxy-3-tetradecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
• SMILES (Canonical): CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O
• SMILES (Isomeric): CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
• InChI: InChI=1S/C22H46NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-22(25)28-19-21(24)20-30-31(26,27)29-18-17-23(2,3)4/h21,24H,5-20H2,1-4H3/t21-/m1/s1
• InChI Key: VXUOFDJKYGDUJI-OAQYLSRUSA-N
• Popularity: 25 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₂H₄₆NO₇P
• Molecular Weight: 467.60 g/mol
• Exact Mass: 467.30118980 g/mol
• Topological Polar Surface Area (TPSA): 105.00 Ų
• XlogP: 4.50

Synonyms

• 20559-16-4
• LysoPC(14:0/0:0)
• 1-myristoyl-2-hydroxy-sn-glycero-3-phosphocholine
• 1-tetradecanoyl-sn-glycero-3-phosphocholine
• MFCD00036902
• (R)-2-Hydroxy-3-(tetradecanoyloxy)propyl (2-(trimethylammonio)ethyl) phosphate
• LPC(14:0)
• PC(14:0/0:0)
• 14:0 Lyso PC
• LPC(14:0/0:0)
• Myristoyl L-alpha-lysolecithin
• LyPC(14:0)
• LPC 14:0
• 1-myristoyl-glycero-3-phosphocholine
• Lysophosphatidylcholine(14:0/0:0)
• 1-Myristoyl-L-alpha-phosphorylcholine
• LyPC(14:0/0:0)
• L-alpha-Myristoyllysophosphatidylcholine
• Myristoyl L-alpha-lysophosphatidylcholine
• 1-Myristoyl-sn-glycero-3-phosphatidylcholine
• 1-Tetradecanoyl-sn-glycero-3-phosphorylcholine
• 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphatidylcholine
• Choline, hydroxide, dihydrogen phosphate, inner salt, 3-ester with 1-monomyristin, L-
• Myristin, 1-mono-, 3-(dihydrogen phosphate), monoester with choline hydroxide, inner salt, L-
• C22H46NO7P
• LysoPC(14:0)
• LMPC
• lysoPC a C14:0
• lysoPC 14:0
• L--Myristoyl--lysolecithin
• 1-myristoylglycerophosphocholine
• Lysophosphatidylcholine(14:0)
• 2T5V973UQY
• CHEMBL462723
• orb1296083
• SCHEMBL19787878
• CHEBI:64489
• DTXSID90942748
• 1-14:0-2-lysophosphatidylcholine
• EX-A5418
• LMGP01050012
• MSK169340
• AKOS027328058
• 1-Myristoyl-sn-glycero-3-phosphocoline
• EBC-616043
• FM41857
• GS-6041
• (2-{[(2R)-2-hydroxy-3-(tetradecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
• 1-C14:0-lysophosphatidylcholine betaine
• 1-Myristoyl-2-hydroxy-sn-glycero-3-PC
• 1-myristoyl-sn-glycero-3-phos-phocholine
• BP-26336
• Lyso-1-myristoyl-sn-3-phosphatidylcholine
• SY260342
• HY-113123
• CS-0059637
• NS00074213
• 1-myristoyl-sn-glycero-3-phosphocholine betaine
• H10541
• F870013
• 1-tetradecanoyl-sn-glycero-3-phosphocholine betaine
• Q27133313
• 14:0 Lyso PC, 1-myristoyl-2-hydroxy-sn-glycero-3-phosphocholine, powder
• 2-Hydroxy-3-(tetradecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphatato
• (2-{[(2R)-2-hydroxy-3-(tetradecanoyloxy)propyl phosphono]oxy}ethyl)trimethylazanium
• (2R)-2-hydroxy-3-(tetradecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
• (2R)-2-Hydroxy-3-(tetradecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
• (R)-2-Hydroxy-3-(tetradecanoyloxy)propyl(2-(trimethylammonio)ethyl)phosphate
• [(2R)-2-hydroxy-3-tetradecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate
• 2-[hydroxy-[(2R)-2-hydroxy-3-tetradecanoyloxy-propoxy]phosphoryl]oxyethyl-trimethyl-ammonium
• Myristoyl Lyso-phosphocholine ,1-myristoyl-2-hydroxy-sn-glycero-3-phosphocholine
• 3,5,9-TRIOXA-4-PHOSPHATRICOSAN-1-AMINIUM, 4,7-DIHYDROXY-N,N,N-TRIMETHYL-10-OXO-, INNER SALT, 4-OXIDE, (7R)-
• 3,5,9-Trioxa-4-phosphatricosan-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (R)-

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: 460604
• LOTUS: LTS0105408
• wikiData: Q27133313