19-Methyleicosanoic acid

Details

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Internal ID 61b63d1e-9f45-44cc-813e-892a5dc1b8bd
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids
IUPAC Name 19-methylicosanoic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C21H42O2/c1-20(2)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21(22)23/h20H,3-19H2,1-2H3,(H,22,23)
InChI Key BDGYZTCVQAZQFG-UHFFFAOYSA-N
Popularity 19 references in papers

Physical and Chemical Properties

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Molecular Formula C21H42O2
Molecular Weight 326.60 g/mol
Exact Mass 326.318480578 g/mol
Topological Polar Surface Area (TPSA) 37.30 Ų
XlogP 8.80

Synonyms

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59708-73-5
19-methylicosanoic acid
19-Methylarachidic acid
19-methyl-eicosanoic acid
LMFA01020223
SCHEMBL1333505
DTXSID50394502
HY-W127525
CS-0185752
FT-0607267
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 19-Methyleicosanoic acid

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.73% 96.09%
CHEMBL2581 P07339 Cathepsin D 94.98% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 92.84% 99.17%
CHEMBL5285 Q99683 Mitogen-activated protein kinase kinase kinase 5 91.78% 92.26%
CHEMBL4040 P28482 MAP kinase ERK2 87.29% 83.82%
CHEMBL3359 P21462 Formyl peptide receptor 1 86.86% 93.56%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 86.26% 100.00%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 84.48% 96.47%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 82.96% 90.71%
CHEMBL1907 P15144 Aminopeptidase N 81.53% 93.31%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 81.42% 97.29%

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 3632876
LOTUS LTS0226932
wikiData Q82193929