PC(16:0/18:3(9Z,12Z,15Z))

Details

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Internal ID 082456d8-c458-41dd-a3d5-de1fd3fa8968
Taxonomy Lipids and lipid-like molecules > Glycerophospholipids > Glycerophosphocholines > Phosphatidylcholines
IUPAC Name [(2R)-3-hexadecanoyloxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C42H78NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,40H,6-7,9,11-13,15,17-19,22-39H2,1-5H3/b10-8-,16-14-,21-20-/t40-/m1/s1
InChI Key JMAYDGBZRHQJAT-QWFQJEORSA-N
Popularity 7 references in papers

Physical and Chemical Properties

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Molecular Formula C42H78NO8P
Molecular Weight 756.00 g/mol
Exact Mass 755.54650544 g/mol
Topological Polar Surface Area (TPSA) 111.00 Ų
XlogP 12.20

Synonyms

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1-hexadecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphocholine
1-palmitoyl-2-[(9Z,12Z,15Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine
CHEBI:84789
LMGP01010601
1-16:0-2-18:3-phosphatidylcholine
phosphatidylcholine (1-16:0-2-18:3)
16:0-18:3-PC
1-palmitoyl-2-alpha-linolenoyl-phosphatidylcholine
Q27158069
1-palmitoyl-2-a-linolenoyl-sn-glycero-3-phosphocholine
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of PC(16:0/18:3(9Z,12Z,15Z))

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
CHEMBL3060 Q9Y345 Glycine transporter 2 99.07% 99.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.48% 96.09%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 96.31% 97.29%
CHEMBL2581 P07339 Cathepsin D 96.10% 98.95%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 94.62% 85.94%
CHEMBL239 Q07869 Peroxisome proliferator-activated receptor alpha 93.42% 90.75%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 93.18% 92.08%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 93.11% 92.86%
CHEMBL5255 O00206 Toll-like receptor 4 88.92% 92.50%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 88.40% 95.17%
CHEMBL321 P14780 Matrix metalloproteinase 9 87.19% 92.12%
CHEMBL3359 P21462 Formyl peptide receptor 1 86.64% 93.56%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 85.91% 91.81%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 85.01% 94.33%
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%
CHEMBL5163 Q9NY46 Sodium channel protein type III alpha subunit 82.92% 96.90%
CHEMBL4227 P25090 Lipoxin A4 receptor 82.39% 100.00%
CHEMBL1075162 Q13304 Uracil nucleotide/cysteinyl leukotriene receptor 81.88% 80.33%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 80.33% 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 24778702
LOTUS LTS0088626
wikiData Q27158069