(2R)-2,16-dihydroxy-9-oxohexadecanoic acid

Details

• Internal ID: 2a8aa561-261a-4f2c-b180-2a485dde2ed2
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids
• IUPAC Name: (2R)-2,16-dihydroxy-9-oxohexadecanoic acid
• InChI: InChI=1S/C16H30O5/c17-13-9-5-1-2-6-10-14(18)11-7-3-4-8-12-15(19)16(20)21/h15,17,19H,1-13H2,(H,20,21)/t15-/m1/s1
• InChI Key: MAJJRAPQJSNQEG-OAHLLOKOSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₃₀O₅
• Molecular Weight: 302.41 g/mol
• Exact Mass: 302.20932405 g/mol
• Topological Polar Surface Area (TPSA): 94.80 Ų
• XlogP: 2.40

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.20%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	93.91%	99.17%
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	92.46%	95.17%
CHEMBL4040	P28482	MAP kinase ERK2	92.30%	83.82%
CHEMBL2581	P07339	Cathepsin D	87.68%	98.95%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	87.40%	97.29%
CHEMBL1829	O15379	Histone deacetylase 3	83.42%	95.00%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	82.50%	100.00%
CHEMBL5285	Q99683	Mitogen-activated protein kinase kinase kinase 5	81.40%	92.26%

Plants that contains it

• Crocosmia masoniorum
• Trigonostemon reidioides

Cross-Links

• PubChem: 163195381
• LOTUS: LTS0133766
• wikiData: Q105005902