14-Methylhexadec-9-Enoic Acid

Details

• Internal ID: edf16391-ff86-49be-9772-d946bce98ea7
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids
• IUPAC Name: 14-methylhexadec-9-enoic acid
• SMILES (Canonical): CCC(C)CCCC=CCCCCCCCC(=O)O
• SMILES (Isomeric): CCC(C)CCCC=CCCCCCCCC(=O)O
• InChI: InChI=1S/C17H32O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h6,8,16H,3-5,7,9-15H2,1-2H3,(H,18,19)
• InChI Key: JSOOUDKFWVPPEF-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₃₂O₂
• Molecular Weight: 268.40 g/mol
• Exact Mass: 268.240230259 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 6.40

Synonyms

• 88505-47-9
• DTXSID30748549
• Q27449796

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	97.11%	99.17%
CHEMBL2581	P07339	Cathepsin D	96.17%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.35%	96.09%
CHEMBL5285	Q99683	Mitogen-activated protein kinase kinase kinase 5	89.96%	92.26%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	89.25%	96.47%
CHEMBL3359	P21462	Formyl peptide receptor 1	88.68%	93.56%
CHEMBL221	P23219	Cyclooxygenase-1	88.31%	90.17%
CHEMBL1781	P11387	DNA topoisomerase I	87.88%	97.00%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	87.73%	100.00%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	82.91%	89.34%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	82.38%	97.29%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	80.80%	96.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 71318434
• LOTUS: LTS0136556
• wikiData: Q27449796