2,3-Dihydroxypropyl tetradecanoate

Details

• Internal ID: f9462673-cf5d-4360-9281-6c07fda58195
• Taxonomy: Lipids and lipid-like molecules > Glycerolipids > Monoradylglycerols > Monoacylglycerols > 1-monoacylglycerols
• IUPAC Name: 2,3-dihydroxypropyl tetradecanoate
• SMILES (Canonical): CCCCCCCCCCCCCC(=O)OCC(CO)O
• SMILES (Isomeric): CCCCCCCCCCCCCC(=O)OCC(CO)O
• InChI: InChI=1S/C17H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-15-16(19)14-18/h16,18-19H,2-15H2,1H3
• InChI Key: DCBSHORRWZKAKO-UHFFFAOYSA-N
• Popularity: 108 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₃₄O₄
• Molecular Weight: 302.40 g/mol
• Exact Mass: 302.24570956 g/mol
• Topological Polar Surface Area (TPSA): 66.80 Ų
• XlogP: 5.20

Synonyms

• 589-68-4
• 2,3-Dihydroxypropyl tetradecanoate
• 1-Monomyristin
• 1-Myristoyl-rac-glycerol
• Glycerol 1-myristate
• Glyceryl monomyristate
• Glyceryl myristate
• Myristin, 1-mono-
• 27214-38-6
• .alpha.-Monomyristin
• Glycerol monomyristate
• Myristic acid 1-monoglyceride
• rac-1-Myristoylglycerol
• rac-Glycerol 1-myristate
• DL-alpha-Myristin
• Tetradecanoic acid, 2,3-dihydroxypropyl ester
• 1-monomyristoylglycerol
• Tetradecanoic acid, monoester with 1,2,3-propanetriol
• (+/-)-2,3-Dihydroxypropyl tetradecanoate
• SMJ2192F1R
• DTXSID0042454
• CHEBI:75567
• alpha-Monomyristin
• NSC-404225
• 2,3-Dihydroxypropyl myristate
• Glycerol, monomyristate
• 1-MONOMYRISTOYL-rac-GLYCEROL
• UNII-SMJ2192F1R
• 1-Moristristin
• 1-Monotetradecanoyl-rac-glycerol
• Tetradecanoic acid, monoglyceride
• MG 14:0
• DL--Myristin
• 1-Myristoylglycerol
• EINECS 248-329-0
• 1-myristoyl glycerol
• UNII-6992Y81827
• 1-tetradecanoylglycerol
• rac-tetradecanoylglycerol
• 1-Monomyristoyl Glycerol
• AI3-03491
• 1-O-Tetradecanoylglycerol
• 2,3-dihydroxypropyl ester
• rac-1-monomyristoylglycerol
• Glycerol alpha-Monomyristate
• GLYCERYL 1-MYRISTATE
• SCHEMBL62800
• 4-Bromo-2-fluoromandelicacid
• CHEMBL463092
• Glycerol .alpha.-tetradecanoate
• DTXCID1022005
• RAC-GLYCEROL-1-MYRISTATE
• CHEBI:75562
• HY-N2512
• MAG 14:0
• rac-Glycerol 1-myristate, >=99%
• GLYCEROL 1-MONOTETRADECANOATE
• Tox21_301507
• 1,2,3-Propanetriol 1-teradecanoate
• MFCD00046760
• NSC404225
• s5829
• GLYCEROL .ALPHA.-MONOMYRISTATE
• AKOS015951205
• rac-2,3-dihydroxypropyl tetradecanoate
• NSC 404225
• NCGC00255819-01
• NCGC00414904-01
• AC-34680
• AS-61762
• CAS-589-68-4
• Tetradecanoic acid,3-dihydroxypropyl ester
• MYRISTIC ACID .ALPHA.-MONOGLYCERIDE
• CS-0022783
• FT-0730633
• M1073
• TETRADECANOIC ACID .ALPHA.-MONOGLYCERIDE
• A869310
• W-110695
• Q60998700
• 6992Y81827

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	97.01%	96.09%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	96.96%	97.29%
CHEMBL3060	Q9Y345	Glycine transporter 2	96.79%	99.17%
CHEMBL230	P35354	Cyclooxygenase-2	95.56%	89.63%
CHEMBL2581	P07339	Cathepsin D	95.13%	98.95%
CHEMBL2265	P23141	Acyl coenzyme A:cholesterol acyltransferase	93.25%	85.94%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	91.99%	92.86%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	88.27%	92.08%
CHEMBL299	P17252	Protein kinase C alpha	87.70%	98.03%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	86.52%	100.00%
CHEMBL253	P34972	Cannabinoid CB2 receptor	84.70%	97.25%
CHEMBL5043	Q6P179	Endoplasmic reticulum aminopeptidase 2	84.30%	91.81%
CHEMBL2885	P07451	Carbonic anhydrase III	84.26%	87.45%
CHEMBL4227	P25090	Lipoxin A4 receptor	82.87%	100.00%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	82.68%	96.95%
CHEMBL3359	P21462	Formyl peptide receptor 1	82.48%	93.56%
CHEMBL340	P08684	Cytochrome P450 3A4	82.01%	91.19%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	81.23%	100.00%
CHEMBL5255	O00206	Toll-like receptor 4	80.59%	92.50%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	80.57%	94.33%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	80.25%	96.00%

Plants that contains it

• Serenoa repens

Cross-Links

• PubChem: 79050
• LOTUS: LTS0078612
• wikiData: Q60998700