[(2R)-2,3-dihydroxypropyl] 16-hydroxyhexadecanoate

Details

• Internal ID: ee702b2e-aa42-45bc-998f-a39bba273a7d
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols
• IUPAC Name: [(2R)-2,3-dihydroxypropyl] 16-hydroxyhexadecanoate
• SMILES (Canonical): C(CCCCCCCC(=O)OCC(CO)O)CCCCCCCO
• SMILES (Isomeric): C(CCCCCCCC(=O)OC[C@@H](CO)O)CCCCCCCO
• InChI: InChI=1S/C19H38O5/c20-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-19(23)24-17-18(22)16-21/h18,20-22H,1-17H2/t18-/m1/s1
• InChI Key: PCVWTHIOXJUGMM-GOSISDBHSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₃₈O₅
• Molecular Weight: 346.50 g/mol
• Exact Mass: 346.27192431 g/mol
• Topological Polar Surface Area (TPSA): 87.00 Ų
• XlogP: 4.70

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	95.87%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	94.49%	99.17%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	91.02%	97.29%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	84.39%	86.92%
CHEMBL2581	P07339	Cathepsin D	83.58%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	82.90%	91.11%
CHEMBL340	P08684	Cytochrome P450 3A4	82.18%	91.19%
CHEMBL2885	P07451	Carbonic anhydrase III	81.34%	87.45%

Plants that contains it

• Bauhinia purpurea

Cross-Links

• PubChem: 154495973
• LOTUS: LTS0182077
• wikiData: Q105206090