PE(18:0/18:2(9Z,12Z))

Details

• Internal ID: e3ffd57a-389c-42a3-919a-0174c71a2eed
• Taxonomy: Lipids and lipid-like molecules > Glycerophospholipids > Glycerophosphoethanolamines > Phosphatidylethanolamines
• IUPAC Name: [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] octadecanoate
• InChI: InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,39H,3-11,13,15-17,19,21-38,42H2,1-2H3,(H,45,46)/b14-12-,20-18-/t39-/m1/s1
• InChI Key: YDTWOEYVDRKKCR-KNERPIHHSA-N
• Popularity: 8 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄₁H₇₈NO₈P
• Molecular Weight: 744.00 g/mol
• Exact Mass: 743.54650544 g/mol
• Topological Polar Surface Area (TPSA): 134.00 Ų
• XlogP: 10.80

Synonyms

• 1-stearoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine
• 7266-53-7
• PE(18:0/18:2)
• PE(18:0/18:2n6)
• PE(18:0/18:2w6)
• 18:0-18:2 PE
• Stearin, 2-linoleo-1-, 3-phosphate, 2-aminoethyl ester, D-(-
• 1-stearoyl-2-linoleoyl-GPE
• 1-octadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine
• Linolein, 1-stearo-2-, 3-phosphate, 2-aminoethyl ester, D-(-)- (8CI)
• 9,12-Octadecadienoic acid (Z,Z)-, 1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, (R)-
• GPE(18:0/18:2)
• GPE(18:0/18:2(9Z,12Z))
• SCHEMBL236077
• phosphatidylethanolamine(36:2)
• CHEBI:133600
• LMGP02010044
• Phosphatidylethanolamine(18:0/18:2)
• Phosphatidylethanolamine(18:0/18:2n6)
• Phosphatidylethanolamine(18:0/18:2w6)
• HY-143203
• 1-octadecanoyl-2-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphoethanolamine
• (21R)-27-amino-24-hydroxy-18,24-dioxo-19,23,25-trioxa-24lambda(5)-phosphaheptacosan-21-yl (9Z,12Z)-octadeca-9,12-dienoate
• [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] octadecanoate
• 9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester
• 9,12-Octadecadienoicacid(9Z,12Z)-,(1R)-1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethylester

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
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	99.24%	95.17%
CHEMBL3060	Q9Y345	Glycine transporter 2	99.00%	99.17%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	98.10%	97.29%
CHEMBL2265	P23141	Acyl coenzyme A:cholesterol acyltransferase	97.83%	85.94%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.64%	96.09%
CHEMBL3230	O95977	Sphingosine 1-phosphate receptor Edg-6	94.32%	94.01%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	94.31%	92.86%
CHEMBL2581	P07339	Cathepsin D	93.51%	98.95%
CHEMBL221	P23219	Cyclooxygenase-1	92.43%	90.17%
CHEMBL5255	O00206	Toll-like receptor 4	90.68%	92.50%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	90.28%	100.00%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	90.01%	96.95%
CHEMBL2885	P07451	Carbonic anhydrase III	89.98%	87.45%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	89.26%	94.33%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	88.07%	96.00%
CHEMBL239	Q07869	Peroxisome proliferator-activated receptor alpha	84.78%	90.75%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	84.66%	89.34%
CHEMBL3401	O75469	Pregnane X receptor	84.59%	94.73%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	84.42%	91.71%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.56%	86.33%
CHEMBL299	P17252	Protein kinase C alpha	83.26%	98.03%
CHEMBL4227	P25090	Lipoxin A4 receptor	82.89%	100.00%
CHEMBL1075162	Q13304	Uracil nucleotide/cysteinyl leukotriene receptor	82.77%	80.33%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	81.92%	97.21%
CHEMBL3891	P07384	Calpain 1	81.63%	93.04%
CHEMBL3359	P21462	Formyl peptide receptor 1	81.29%	93.56%
CHEMBL1907	P15144	Aminopeptidase N	81.10%	93.31%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	80.55%	94.45%
CHEMBL1781	P11387	DNA topoisomerase I	80.44%	97.00%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	80.29%	92.08%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 9546749
• LOTUS: LTS0188175
• wikiData: Q76399602