PA(18:2(9Z,12Z)/18:2(9Z,12Z))

Details

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Internal ID 90f7518f-8480-42ec-8f82-bc22cc1f3340
Taxonomy Lipids and lipid-like molecules > Glycerophospholipids > Glycerophosphates > Diacylglycerophosphates > 1,2-diacylglycerol-3-phosphates
IUPAC Name [(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-phosphonooxypropyl] (9Z,12Z)-octadeca-9,12-dienoate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C39H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,37H,3-10,15-16,21-36H2,1-2H3,(H2,42,43,44)/b13-11-,14-12-,19-17-,20-18-/t37-/m1/s1
InChI Key OBXRDFNCKFWKNY-UCEXZFFASA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C39H69O8P
Molecular Weight 696.90 g/mol
Exact Mass 696.47300615 g/mol
Topological Polar Surface Area (TPSA) 119.00 Ų
XlogP 11.90

Synonyms

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1,2-dilinoleoyl-sn-glycero-3-phosphate
1,2-di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphate
1-18:2-2-18:2-phosphatidic acid
SCHEMBL234908
CHEBI:77254
LMGP10010957
Q27146841
1,2-di(9Z,12Z)-octadecadienoyl-sn-glycero-3-phosphate

2D Structure

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2D Structure of PA(18:2(9Z,12Z)/18:2(9Z,12Z))

3D Structure

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ADMET Properties (via admetSAR 2)

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

Targets

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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
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 98.76% 97.29%
CHEMBL3060 Q9Y345 Glycine transporter 2 98.62% 99.17%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 97.60% 85.94%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 95.79% 95.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.69% 96.09%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 94.77% 92.86%
CHEMBL2581 P07339 Cathepsin D 92.95% 98.95%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 91.46% 100.00%
CHEMBL3230 O95977 Sphingosine 1-phosphate receptor Edg-6 91.28% 94.01%
CHEMBL5255 O00206 Toll-like receptor 4 90.95% 92.50%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 89.36% 91.71%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 88.08% 92.08%
CHEMBL3401 O75469 Pregnane X receptor 85.14% 94.73%
CHEMBL239 Q07869 Peroxisome proliferator-activated receptor alpha 84.81% 90.75%
CHEMBL1781 P11387 DNA topoisomerase I 84.42% 97.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 84.30% 96.00%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 84.26% 94.33%
CHEMBL3359 P21462 Formyl peptide receptor 1 84.13% 93.56%
CHEMBL230 P35354 Cyclooxygenase-2 83.31% 89.63%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 83.30% 91.81%
CHEMBL1907 P15144 Aminopeptidase N 82.54% 93.31%
CHEMBL4333 P21453 Sphingosine 1-phosphate receptor Edg-1 81.88% 96.99%
CHEMBL299 P17252 Protein kinase C alpha 81.62% 98.03%
CHEMBL4227 P25090 Lipoxin A4 receptor 81.30% 100.00%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 80.87% 100.00%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 46891867
LOTUS LTS0084915
wikiData Q27146841