PC(15:0/15:0)

Details

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Internal ID bc9bfc09-f0ed-4902-af24-f0b81290f299
Taxonomy Lipids and lipid-like molecules > Glycerophospholipids > Glycerophosphocholines > Phosphatidylcholines
IUPAC Name [(2R)-2,3-di(pentadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C38H76NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39(3,4)5)47-38(41)31-29-27-25-23-21-19-17-15-13-11-9-7-2/h36H,6-35H2,1-5H3/t36-/m1/s1
InChI Key LJARBVLDSOWRJT-PSXMRANNSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C38H76NO8P
Molecular Weight 706.00 g/mol
Exact Mass 705.53085538 g/mol
Topological Polar Surface Area (TPSA) 111.00 Ų
XlogP 12.40

Synonyms

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PC(15:0/15:0)
GPCho(30:0)
Phosphatidylcholine(15:0/15:0)
GPCho(15:0/15:0)
L-alpha-Dipentadecanoyl phosphatidylcholine
1,2-di-O-pentadecanoyl-sn-glycero-3-phosphocholine
Pentadecanoin, 1,2-di-, phosphate, ester with choline, L-
(R)-2,3-Bis(pentadecanoyloxy)propyl (2-(trimethylammonio)ethyl) phosphate
SCHEMBL233984
CHEBI:86088
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(15:0/15:0)

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
CHEMBL4666 Q13285 Steroidogenic factor 1 850 nM
Ki
via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3060 Q9Y345 Glycine transporter 2 97.45% 99.17%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 97.32% 97.29%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.83% 96.09%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 94.59% 95.17%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 94.32% 92.86%
CHEMBL2581 P07339 Cathepsin D 94.04% 98.95%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 92.40% 85.94%
CHEMBL321 P14780 Matrix metalloproteinase 9 90.42% 92.12%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 90.27% 92.08%
CHEMBL5255 O00206 Toll-like receptor 4 89.57% 92.50%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 86.68% 91.81%
CHEMBL3359 P21462 Formyl peptide receptor 1 84.34% 93.56%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 84.20% 100.00%
CHEMBL202 P00374 Dihydrofolate reductase 83.29% 89.92%
CHEMBL5163 Q9NY46 Sodium channel protein type III alpha subunit 83.19% 96.90%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 83.12% 94.33%
CHEMBL340 P08684 Cytochrome P450 3A4 82.61% 91.19%
CHEMBL299 P17252 Protein kinase C alpha 81.80% 98.03%
CHEMBL4227 P25090 Lipoxin A4 receptor 81.10% 100.00%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 80.98% 96.95%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 80.83% 100.00%
CHEMBL1075162 Q13304 Uracil nucleotide/cysteinyl leukotriene receptor 80.38% 80.33%
CHEMBL3401 O75469 Pregnane X receptor 80.23% 94.73%

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 24778654
LOTUS LTS0135224
wikiData Q27158886