1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphatidylcholine

Details

• Internal ID: 571193c1-0e33-4184-b42d-a08104479a3c
• Taxonomy: Lipids and lipid-like molecules > Glycerophospholipids > Glycerophosphocholines > Phosphatidylcholines
• IUPAC Name: [(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
• SMILES (Canonical): CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC
• SMILES (Isomeric): CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
• InChI: InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,42H,6-14,16,18-20,22,24-41H2,1-5H3/b17-15-,23-21-/t42-/m1/s1
• InChI Key: FORFDCPQKJHEBF-VPUSDGANSA-N
• Popularity: 18 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄₄H₈₄NO₈P
• Molecular Weight: 786.10 g/mol
• Exact Mass: 785.59345564 g/mol
• Topological Polar Surface Area (TPSA): 111.00 Ų
• XlogP: 14.00

Synonyms

• [(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
• ((2R)-2-((9Z,12Z)-octadeca-9,12-dienoyl)oxy-3-octadecanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
• RefChem:1057130
• 27098-24-4
• 1-Stearoyl-2-linoleoylphosphatidylcholine
• 1-stearoyl-2-linoleoyl-sn-glycero-3-phosphocholine
• Phosphatidylcholine(18:0/18:2w6)
• Phosphatidylcholine(36:2)
• GPCho(36:2)
• Phosphatidylcholine(18:0/18:2)
• GPCho(18:0/18:2)
• GPCho(18:0/18:2n6)
• GPCho(18:0/18:2w6)
• Phosphatidylcholine(18:0/18:2n6)
• 1-18:0-2-18:2-phosphatidylcholine
• SLPC
• PC(18:0/18:2n6)
• PC(18:0/18:2w6)
• phosphatidylcholine (1-18:0-2-18:2)
• 18:0-18:2-PC
• 1-octadecanoyl-2-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphocholine
• SLPTC
• PC (liver, bovine )
• 475662-36-3
• 1-stearoyl-2-linoleoyl-GPC
• SCHEMBL233018
• 1-Stearoyl-(2-linoleoyl)-sn-glycero-3-phosphocholine
• orb1992988
• CHEBI:84822
• DTXSID001230503
• LMGP01010768
• MSK001063
• AKOS040732231
• PD166325
• GPC(18:0/18:2)
• HY-126359
• CS-0102946
• NS00073994
• 1-stearoyl-2-linoleoyl-GPC (18:0/18:2)
• Q27105102
• 1-STERAOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHORYLCHOLINE
• Liver PC, L-alpha-phosphatidylcholine (Liver, Bovine), powder
• 1-octadecanoyl-2-(9Z,12Z)-octadecadienoyl-sn-glycero-3-phosphocholine
• 18:0-18:2 PC, 1-stearoyl-2-linoleoyl-sn-glycero-3-phosphocholine, powder
• 18:0-18:2 PC, 1-stearoyl-2-linoleoyl-sn-glycero-3-phosphocholine, chloroform
• (2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-3-(octadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
• (2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-3-(octadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
• (R)-2-((Octadeca-9,12-dienoyl)oxy)-3-(stearoyloxy)propyl (2-(trimethylammonio)ethyl) phosphate
• 18468-68-3
• 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-((1-oxo-9,12-octadecadienyl)oxy)-, inner salt, 4-oxide, (R-(Z,Z))-
• 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]-, inner salt, 4-oxide, (7R)-
• 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium,4-hydroxy-N,N,N-trimethyl-10-oxo-7-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]-,innersalt,4-oxide,(7R)-
• trimethyl(2-{[2-[octadeca-9.12-dienoyloxy]-3-(octadecanoyloxy)propyl phosphonato]oxy}ethyl)azanium

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
CHEMBL3060	Q9Y345	Glycine transporter 2	98.99%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.31%	96.09%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	96.20%	97.29%
CHEMBL2581	P07339	Cathepsin D	96.13%	98.95%
CHEMBL2265	P23141	Acyl coenzyme A:cholesterol acyltransferase	94.32%	85.94%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	93.42%	92.86%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	93.18%	92.08%
CHEMBL239	Q07869	Peroxisome proliferator-activated receptor alpha	90.93%	90.75%
CHEMBL5255	O00206	Toll-like receptor 4	88.11%	92.50%
CHEMBL321	P14780	Matrix metalloproteinase 9	87.31%	92.12%
CHEMBL3359	P21462	Formyl peptide receptor 1	86.43%	93.56%
CHEMBL5043	Q6P179	Endoplasmic reticulum aminopeptidase 2	85.91%	91.81%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	84.94%	94.33%
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	84.91%	95.17%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	84.78%	96.00%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	84.20%	100.00%
CHEMBL1781	P11387	DNA topoisomerase I	83.58%	97.00%
CHEMBL3401	O75469	Pregnane X receptor	83.35%	94.73%
CHEMBL5163	Q9NY46	Sodium channel protein type III alpha subunit	82.74%	96.90%
CHEMBL4227	P25090	Lipoxin A4 receptor	82.39%	100.00%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	81.51%	96.95%
CHEMBL230	P35354	Cyclooxygenase-2	80.53%	89.63%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	80.33%	100.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 6441487
• LOTUS: LTS0065235
• wikiData: Q27105102