14-Oxo-octadecanoic acid

Details

• Internal ID: c445754e-8650-478e-8a28-532fb2dc0e4d
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids
• IUPAC Name: 14-oxooctadecanoic acid
• SMILES (Canonical): CCCCC(=O)CCCCCCCCCCCCC(=O)O
• SMILES (Isomeric): CCCCC(=O)CCCCCCCCCCCCC(=O)O
• InChI: InChI=1S/C18H34O3/c1-2-3-14-17(19)15-12-10-8-6-4-5-7-9-11-13-16-18(20)21/h2-16H2,1H3,(H,20,21)
• InChI Key: SNTUZKPEHBBWOS-UHFFFAOYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₃₄O₃
• Molecular Weight: 298.50 g/mol
• Exact Mass: 298.25079494 g/mol
• Topological Polar Surface Area (TPSA): 54.40 Ų
• XlogP: 5.80

Synonyms

• 14-oxooctadecanoic acid
• 14-oxostearic acid
• CHEBI:179230
• LMFA02000258

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	95.22%	96.09%
CHEMBL2581	P07339	Cathepsin D	95.03%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	94.18%	99.17%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	87.98%	92.08%
CHEMBL5285	Q99683	Mitogen-activated protein kinase kinase kinase 5	85.79%	92.26%
CHEMBL1781	P11387	DNA topoisomerase I	83.26%	97.00%
CHEMBL221	P23219	Cyclooxygenase-1	83.05%	90.17%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	81.61%	96.95%
CHEMBL2265	P23141	Acyl coenzyme A:cholesterol acyltransferase	81.25%	85.94%

Plants that contains it

• Tridax procumbens

Cross-Links

• PubChem: 5312906
• LOTUS: LTS0082684
• wikiData: Q105256678