(4E,7E,10E,13E,16E,19E,22E)-octacosa-4,7,10,13,16,19,22-heptaenoic acid

Details

• Internal ID: 265c43f7-5663-4c45-935a-47266dbe933b
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Very long-chain fatty acids
• IUPAC Name: (4E,7E,10E,13E,16E,19E,22E)-octacosa-4,7,10,13,16,19,22-heptaenoic acid
• SMILES (Canonical): CCCCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O
• SMILES (Isomeric): CCCCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)O
• InChI: InChI=1S/C28H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30/h6-7,9-10,12-13,15-16,18-19,21-22,24-25H,2-5,8,11,14,17,20,23,26-27H2,1H3,(H,29,30)/b7-6+,10-9+,13-12+,16-15+,19-18+,22-21+,25-24+
• InChI Key: FQYWAQLILQWTQT-YMEULGMYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₈H₄₂O₂
• Molecular Weight: 410.60 g/mol
• Exact Mass: 410.318480578 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 8.70

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	97.07%	99.17%
CHEMBL2581	P07339	Cathepsin D	96.54%	98.95%
CHEMBL221	P23219	Cyclooxygenase-1	92.38%	90.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.98%	96.09%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	91.13%	92.08%
CHEMBL1781	P11387	DNA topoisomerase I	91.04%	97.00%
CHEMBL230	P35354	Cyclooxygenase-2	90.51%	89.63%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	82.40%	96.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.20%	86.33%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	80.03%	96.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 14647892
• LOTUS: LTS0085888
• wikiData: Q105000009