Methyl-5,11,14,17-eicosatetraenoate

Details

• Internal ID: 0579cfe6-6f8f-4794-8354-3cb3aac260bd
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters > Fatty acid methyl esters
• IUPAC Name: methyl icosa-5,11,14,17-tetraenoate
• SMILES (Canonical): CCC=CCC=CCC=CCCCCC=CCCCC(=O)OC
• SMILES (Isomeric): CCC=CCC=CCC=CCCCCC=CCCCC(=O)OC
• InChI: InChI=1S/C21H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h4-5,7-8,10-11,16-17H,3,6,9,12-15,18-20H2,1-2H3
• InChI Key: RACNRUFXUGWSBR-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₁H₃₄O₂
• Molecular Weight: 318.50 g/mol
• Exact Mass: 318.255880323 g/mol
• Topological Polar Surface Area (TPSA): 26.30 Ų
• XlogP: 6.40

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3060	Q9Y345	Glycine transporter 2	96.47%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.42%	96.09%
CHEMBL239	Q07869	Peroxisome proliferator-activated receptor alpha	93.89%	90.75%
CHEMBL2581	P07339	Cathepsin D	90.04%	98.95%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	86.75%	94.33%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	85.45%	91.11%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	84.91%	96.00%
CHEMBL221	P23219	Cyclooxygenase-1	84.86%	90.17%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	84.76%	96.95%
CHEMBL1781	P11387	DNA topoisomerase I	81.91%	97.00%

Plants that contains it

• Schotia brachypetala

Cross-Links

• PubChem: 556279
• LOTUS: LTS0075344
• wikiData: Q105232523