2-Palmitoylglycerol
PubChem CID: 123409
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| Compound Synonyms | 2-Palmitoylglycerol, 2-Monopalmitin, 23470-00-0, 2-Monopalmitoylglycerol, 1,3-dihydroxypropan-2-yl palmitate, 2-palmitoyl-glycerol, 2-Hexadecanoyl glycerol, 1,3-dihydroxypropan-2-yl hexadecanoate, 2-Palmitoyl-rac-glycerol, Glycerol, 2-palmitate, Palmitin, 2-mono, 2-Monopalmitoyl-sn-glycerol, Glyceryl 2-palmitate, Palmitin, 2-mono-, Hexadecanoic acid, 2-hydroxy-1-(hydroxymethyl)ethyl ester, .beta.-Monopalmitin, 2-hexadecanoyl-sn-glycerol, CHEBI:75455, MG(0:0/16:0/0:0), 21I29V2935, beta-Monopalmitin, 2-Monohexadecanoylglycerol, UNII-21I29V2935, 2-hexadecanoylglycerol, 2-O-palmitoylglycerol, Glycerol 2-hexadecanoate, Glycerol .beta.-palmitate, 2-hexadecanoyl-rac-glycerol, SCHEMBL133614, QSPL 170, GLYCERYL 2-HEXADECANOATE, CHEMBL1317070, 2-Palmitoylmonoglycerol (2-PG), DTXSID30178024, Hexadecanoic Acid 2-Hydroxy-1-(hydroxymethyl)ethyl Ester, 1,3-dihydroxypropan-2-ylpalmitate, BDBM197166, Palmitic acid .beta.-monoglyceride, LMGL01010025, AKOS015951327, CS-W014504, HY-W013788, 2-Palmitoylglycerol, analytical standard, NCGC00092337-01, DA-49455, FP167393, MS-24972, PD017581, MAG(0:0/16:0), 2-Hydroxy-1-(hydroxymethyl)ethyl palmitate, NS00051368, G12159, MG(0:0/16:0), MG (0:0/16:0/0:0), Q27145323, Hexadecanoic acid,2-hydroxy-1-(hydroxymethyl)ethyl ester, VLP |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Monoacylglycerols |
| Deep Smiles | CCCCCCCCCCCCCCCC=O)OCCO))CO |
| Heavy Atom Count | 23.0 |
| Pathway Kegg Map Id | map00561 |
| Classyfire Class | Glycerolipids |
| Description | Minor component of olive oil and other vegetable oils 1-monoacylglycerols (or 3-monoacylglycerols) and 2-monoacylglycerols, depending on the position of the ester bond on the glycerol moiety. Normally the 1-/3-isomers are not distinguished from each other and are termed 'alpha-monoacylglycerols', while the 2-isomers are beta-monoacylglycerols. Monoacylglycerols are formed biochemically via release of a fatty acid from diacylglycerol by diacylglycerol lipase or hormone sensitive lipase. Monoacylglycerols are broken down by monoacylglycerol lipase. They tend to be minor components only of most plant and animal tissues, and indeed would not be expected to accumulate because their strong detergent properties would have a disruptive effect on membranes. 2-Monoacylglycerols are a major end product of the intestinal digestion of dietary fats in animals via the enzyme pancreatic lipase. They are taken up directly by the intestinal cells and converted to triacylglycerols via the monoacylglycerol pathway before being transported in lymph to the liver. Mono- and Diglycerides are commonly added to commercial food products in small quantities. They act as emulsifiers, helping to mix ingredients such as oil and water that would not otherwise blend well., MG(0:0/16:0/0:0) is a monoacylglyceride. A monoglyceride, more correctly known as a monoacylglycerol, is a glyceride consisting of one fatty acid chain covalently bonded to a glycerol molecule through an ester linkage. Monoacylglycerol can be broadly divided into two groups. Glycerol 2-hexadecanoate is found in fats and oils. |
| Classyfire Subclass | Monoradylglycerols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 252.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Enzyme Uniprot Id | Q99685, Q3SYC2, Q96PD6, Q86VF5, Q9NPH0, Q6UWR7 |
| Uniprot Id | Q99685, Q05469, Q3SYC2, Q96PD6, Q86VF5, Q9NPH0, Q53H12, Q6UWR7, P10636, P25779, P02791, P28482, O15296 |
| Iupac Name | 1,3-dihydroxypropan-2-yl hexadecanoate |
| Prediction Hob | 0.0 |
| Class | Glycerolipids |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Target Id | NPT51, NPT282 |
| Xlogp | 6.1 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoradylglycerols |
| Gsk 4 400 Rule | False |
| Molecular Formula | C19H38O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BBNYCLAREVXOSG-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.9473684210526316 |
| Logs | -4.422 |
| Rotatable Bond Count | 18.0 |
| State | Solid |
| Logd | 3.656 |
| Synonyms | 1-Monoacylglyceride, 1-Monoacylglycerol, 1,2,3-Propanetriol 2-hexandecanoyl ester, 1,3-Dihydroxypropan-2-yl palmitate, 1,3-Dihydroxypropan-2-yl palmitic acid, 2-Hexadecanoyl glycerol, 2-hexadecanoyl-rac-glycerol, 2-Hexadecanoylglycerol, 2-Hydroxy-1-(hydroxymethyl)ethyl palmitate, 2-Monohexadecanoylglycerol, 2-Monopalmitin, 2-Monopalmitoyl-sn-glycerol, 2-Monopalmitoylglycerol, 2-O-Hexadecanoylglycerol, 2-O-Palmitoylglycerol, 2-palmitoyl-glycerol, 2-Palmitoylglycerol, b-Monoacylglycerol, b-Monopalmitin, beta-Monoacylglycerol, Beta-monopalmitin, Glycerol &beta, -palmitate, Glycerol 2-palmitate, Glycerol, 2-palmitate, Hexadecanoic acid 2-hydroxy-1-(hydroxymethyl)ethyl ester, 9CI, Hexadecanoic acid, 2-hydroxy-1-(hydroxymethyl)ethyl ester, MAG(0:0/16:0), MG (0:0/16:0/0:0), MG(0:0/16:0), Palmitic acid &beta, -monoglyceride, Palmitin, 2-mono, Palmitin, 2-mono-, 2-Hexadecanoyl-rac-glycerol, 2-Palmitoyl-glycerol, MAG(16:0), MG(16:0), 2-Palm-GL, glycerol 2-palmitate, glycerol-2-palmitate |
| Substituent Name | 2-acyl-sn-glycerol, Fatty acid ester, Fatty acyl, Saccharide, Carboxylic acid ester, Monocarboxylic acid or derivatives, Ether, Carboxylic acid derivative, Hydrocarbon derivative, Primary alcohol, Organooxygen compound, Carbonyl group, Alcohol, Aliphatic acyclic compound |
| Esol Class | Moderately soluble |
| Functional Groups | CO, COC(C)=O |
| Compound Name | 2-Palmitoylglycerol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 330.277 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 330.277 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 330.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -4.5693557999999985 |
| Inchi | InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-18(16-20)17-21/h18,20-21H,2-17H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCC(=O)OC(CO)CO |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | 2-monoacylglycerols |
| Np Classifier Superclass | Glycerolipids |
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