14-Oxononacosanoic acid

Details

• Internal ID: e9781275-d37d-4a01-9584-8d784cb8de68
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Very long-chain fatty acids
• IUPAC Name: 14-oxononacosanoic acid
• SMILES (Canonical): CCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCC(=O)O
• SMILES (Isomeric): CCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCC(=O)O
• InChI: InChI=1S/C29H56O3/c1-2-3-4-5-6-7-8-9-10-13-16-19-22-25-28(30)26-23-20-17-14-11-12-15-18-21-24-27-29(31)32/h2-27H2,1H3,(H,31,32)
• InChI Key: WQWSOGDDFRVDDW-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₉H₅₆O₃
• Molecular Weight: 452.80 g/mol
• Exact Mass: 452.42294564 g/mol
• Topological Polar Surface Area (TPSA): 54.40 Ų
• XlogP: 11.00

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	95.07%	99.17%
CHEMBL2581	P07339	Cathepsin D	95.05%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.86%	96.09%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	92.88%	92.08%
CHEMBL230	P35354	Cyclooxygenase-2	92.29%	89.63%
CHEMBL4040	P28482	MAP kinase ERK2	86.95%	83.82%
CHEMBL1781	P11387	DNA topoisomerase I	86.82%	97.00%
CHEMBL2265	P23141	Acyl coenzyme A:cholesterol acyltransferase	86.08%	85.94%
CHEMBL5285	Q99683	Mitogen-activated protein kinase kinase kinase 5	85.85%	92.26%
CHEMBL221	P23219	Cyclooxygenase-1	82.90%	90.17%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	82.86%	97.29%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	81.66%	96.95%
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	80.18%	95.17%

Plants that contains it

• Tridax procumbens

Cross-Links

• PubChem: 13991166
• LOTUS: LTS0107744
• wikiData: Q105311031