Octadecanoic acid, 18-fluoro-

Details

• Internal ID: 057dfa56-9ff6-4136-814a-097c71875a98
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids
• IUPAC Name: 18-fluorooctadecanoic acid
• SMILES (Canonical): C(CCCCCCCCC(=O)O)CCCCCCCCF
• SMILES (Isomeric): C(CCCCCCCCC(=O)O)CCCCCCCCF
• InChI: InChI=1S/C18H35FO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-17H2,(H,20,21)
• InChI Key: GYUYQQCJINXTSG-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₃₅FO₂
• Molecular Weight: 302.50 g/mol
• Exact Mass: 302.26210852 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 6.30

Synonyms

• OCTADECANOIC ACID, 18-FLUORO-
• 408-37-7
• 18-fluoro-octadecanoic acid
• omega-Fluorostearic acid
• omega-Fluorooctadecanoic acid
• BRN 1789810
• 18-fluorostearic acid
• starbld0045471
• SCHEMBL10004661
• DTXSID00193789
• LMFA01090045

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.46%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	91.93%	99.17%
CHEMBL5285	Q99683	Mitogen-activated protein kinase kinase kinase 5	87.74%	92.26%
CHEMBL4040	P28482	MAP kinase ERK2	84.66%	83.82%
CHEMBL221	P23219	Cyclooxygenase-1	81.58%	90.17%

Plants that contains it

• Dichapetalum toxicarium

Cross-Links

• PubChem: 9858
• LOTUS: LTS0127938
• wikiData: Q83066514