16-Hydroxy-10-oxohexadecanoic acid

Details

• Internal ID: 5f58b6b4-7c3f-4f79-82ee-aeb8e3d54b38
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids
• IUPAC Name: 16-hydroxy-10-oxohexadecanoic acid
• SMILES (Canonical): C(CCCCC(=O)O)CCCC(=O)CCCCCCO
• SMILES (Isomeric): C(CCCCC(=O)O)CCCC(=O)CCCCCCO
• InChI: InChI=1S/C16H30O4/c17-14-10-6-5-8-12-15(18)11-7-3-1-2-4-9-13-16(19)20/h17H,1-14H2,(H,19,20)
• InChI Key: ZNMHENLYDLACAS-UHFFFAOYSA-N
• Popularity: 7 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₃₀O₄
• Molecular Weight: 286.41 g/mol
• Exact Mass: 286.21440943 g/mol
• Topological Polar Surface Area (TPSA): 74.60 Ų
• XlogP: 3.10

Synonyms

• 16-Hydroxy-10-oxohexadecanoic acid
• 53833-25-3
• SCHEMBL8734659
• CHEBI:142246
• DTXSID601296262
• 16-hydroxy-10-oxo-hexadecanoic acid

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	92.95%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	92.46%	99.17%
CHEMBL4040	P28482	MAP kinase ERK2	92.31%	83.82%
CHEMBL5285	Q99683	Mitogen-activated protein kinase kinase kinase 5	88.77%	92.26%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	83.94%	91.11%
CHEMBL1781	P11387	DNA topoisomerase I	83.61%	97.00%
CHEMBL2581	P07339	Cathepsin D	83.33%	98.95%

Plants that contains it

• Glycine max

Cross-Links

• PubChem: 85837000
• LOTUS: LTS0235354
• wikiData: Q105380122