Tricos-18-enoic acid

Details

• Internal ID: 95620062-fdad-46d1-a756-815c6165704b
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Very long-chain fatty acids
• IUPAC Name: tricos-18-enoic acid
• SMILES (Canonical): CCCCC=CCCCCCCCCCCCCCCCCC(=O)O
• SMILES (Isomeric): CCCCC=CCCCCCCCCCCCCCCCCC(=O)O
• InChI: InChI=1S/C23H44O2/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/h5-6H,2-4,7-22H2,1H3,(H,24,25)
• InChI Key: BSDQMUMDKOWNMX-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₃H₄₄O₂
• Molecular Weight: 352.60 g/mol
• Exact Mass: 352.334130642 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 9.90

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	97.59%	99.17%
CHEMBL2581	P07339	Cathepsin D	95.90%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.07%	96.09%
CHEMBL1781	P11387	DNA topoisomerase I	92.74%	97.00%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	91.70%	92.08%
CHEMBL221	P23219	Cyclooxygenase-1	88.58%	90.17%
CHEMBL230	P35354	Cyclooxygenase-2	85.40%	89.63%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	84.37%	96.95%
CHEMBL3359	P21462	Formyl peptide receptor 1	82.34%	93.56%
CHEMBL2001	Q9H244	Purinergic receptor P2Y12	81.31%	96.00%
CHEMBL5285	Q99683	Mitogen-activated protein kinase kinase kinase 5	80.82%	92.26%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 73721021
• LOTUS: LTS0055429
• wikiData: Q104945198