2,4,6-Hexadecatrienoic acid

Details

• Internal ID: c1f2465d-6451-45f0-923b-3ee73757f9e0
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids
• IUPAC Name: hexadeca-2,4,6-trienoic acid
• SMILES (Canonical): CCCCCCCCCC=CC=CC=CC(=O)O
• SMILES (Isomeric): CCCCCCCCCC=CC=CC=CC(=O)O
• InChI: InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h10-15H,2-9H2,1H3,(H,17,18)
• InChI Key: SZQQHKQCCBDXCG-UHFFFAOYSA-N
• Popularity: 25 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₂₆O₂
• Molecular Weight: 250.38 g/mol
• Exact Mass: 250.193280068 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 6.10

Synonyms

• 70017-79-7
• hexadecatrienic acid

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	95.24%	99.17%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	93.00%	92.08%
CHEMBL230	P35354	Cyclooxygenase-2	92.41%	89.63%
CHEMBL221	P23219	Cyclooxygenase-1	91.43%	90.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.63%	96.09%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	88.53%	97.29%
CHEMBL2581	P07339	Cathepsin D	88.33%	98.95%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	87.97%	96.95%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	84.83%	92.86%
CHEMBL1781	P11387	DNA topoisomerase I	82.93%	97.00%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	81.28%	100.00%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	81.20%	89.34%
CHEMBL3359	P21462	Formyl peptide receptor 1	80.73%	93.56%
CHEMBL2001	Q9H244	Purinergic receptor P2Y12	80.63%	96.00%

Plants that contains it

• Spinacia oleracea

Cross-Links

• PubChem: 182096
• LOTUS: LTS0276364
• wikiData: Q105264332