Methyl 17-Hydroxyheptadecanoate

Details

• Internal ID: 33e5f28e-1654-42cf-b72e-985f898e71b3
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols
• IUPAC Name: methyl 17-hydroxyheptadecanoate
• InChI: InChI=1S/C18H36O3/c1-21-18(20)16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19/h19H,2-17H2,1H3
• InChI Key: UVIQCJHXPJPAOJ-UHFFFAOYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₃₆O₃
• Molecular Weight: 300.50 g/mol
• Exact Mass: 300.26644501 g/mol
• Topological Polar Surface Area (TPSA): 46.50 Ų
• XlogP: 6.40

Synonyms

• 94036-00-7
• DTXSID50531632
• RefChem:157182
• methyl omega-hydroxyheptadecanoate
• DTXCID80482421
• Methyl 17-hydroxyheptadecanoic acid
• Methyl omega-hydroxyheptadecanoic acid
• Heptadecanoic acid, 17-hydroxy-, methyl ester
• CHEMBL477885
• SCHEMBL3502658
• methyl 17-hydroxy heptadecanoate
• omega-Hydroxy C17:0 methyl ester
• MFCD02259076
• PD077324
• HY-134068

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	96.74%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	94.39%	99.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.56%	91.11%
CHEMBL4040	P28482	MAP kinase ERK2	85.72%	83.82%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	84.55%	94.33%
CHEMBL2885	P07451	Carbonic anhydrase III	82.80%	87.45%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	82.58%	96.95%
CHEMBL2581	P07339	Cathepsin D	82.51%	98.95%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	82.49%	97.29%
CHEMBL4374	Q9Y5X4	Photoreceptor-specific nuclear receptor	80.31%	85.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 13245691
• LOTUS: LTS0103875
• wikiData: Q82403634