PS(18:2(9Z,12Z)/18:1(9Z))

Details

Top
Internal ID 201a5265-9833-4816-9a70-56d6e70fea6f
Taxonomy Lipids and lipid-like molecules > Glycerophospholipids > Glycerophosphoserines > Phosphatidylserines
IUPAC Name (2S)-2-amino-3-[hydroxy-[(2R)-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-2-[(Z)-octadec-9-enoyl]oxypropoxy]phosphoryl]oxypropanoic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C42H76NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,38-39H,3-10,12,14-16,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/b13-11-,19-17-,20-18-/t38-,39+/m1/s1
InChI Key HCMPQQOKSNDTHI-UTJDFHGQSA-N
Popularity 12 references in papers

Physical and Chemical Properties

Top
Molecular Formula C42H76NO10P
Molecular Weight 786.00 g/mol
Exact Mass 785.52068462 g/mol
Topological Polar Surface Area (TPSA) 172.00 Ų
XlogP 9.50

Synonyms

Top
1-(9Z,12Z-octadecadienoyl)-2-(9Z-octadecenoyl)-glycero-3-phosphoserine
CHEBI:88486
Phosphatidylserine(18:2/18:1)
PSer(18:2/18:1)
PSer(18:2n6/18:1n9)
PSer(18:2w6/18:1w9)
LMGP03010350
Phosphatidylserine(18:2n6/18:1n9)
Phosphatidylserine(18:2w6/18:1w9)
PS(18:2n6/18:1n9)
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

Top
2D Structure of PS(18:2(9Z,12Z)/18:1(9Z))

3D Structure

Top

ADMET Properties (via admetSAR 2)

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

Targets

Top

Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3060 Q9Y345 Glycine transporter 2 99.07% 99.17%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 98.54% 95.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.74% 96.09%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 97.68% 97.29%
CHEMBL2581 P07339 Cathepsin D 94.84% 98.95%
CHEMBL221 P23219 Cyclooxygenase-1 94.45% 90.17%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 93.67% 85.94%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 93.57% 92.86%
CHEMBL230 P35354 Cyclooxygenase-2 92.57% 89.63%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 91.14% 96.95%
CHEMBL3230 O95977 Sphingosine 1-phosphate receptor Edg-6 90.39% 94.01%
CHEMBL5255 O00206 Toll-like receptor 4 89.89% 92.50%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 89.86% 100.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 88.00% 93.56%
CHEMBL1907 P15144 Aminopeptidase N 87.58% 93.31%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 85.98% 92.08%
CHEMBL1781 P11387 DNA topoisomerase I 85.42% 97.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 85.06% 96.00%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 84.88% 94.33%
CHEMBL3401 O75469 Pregnane X receptor 84.50% 94.73%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.33% 86.33%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 84.13% 97.21%
CHEMBL4040 P28482 MAP kinase ERK2 84.03% 83.82%
CHEMBL4227 P25090 Lipoxin A4 receptor 82.47% 100.00%
CHEMBL3891 P07384 Calpain 1 81.84% 93.04%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 80.58% 100.00%
CHEMBL299 P17252 Protein kinase C alpha 80.37% 98.03%

Plants that contains it

Top
Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
There are no matching plants.

Cross-Links

Top
PubChem 52925460
LOTUS LTS0109842
wikiData Q27160364