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Trimyristin

PubChem CID: 11148

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Compound Synonyms TRIMYRISTIN, 555-45-3, Glycerol trimyristate, propane-1,2,3-triyl tritetradecanoate, Glyceryl trimyristate, Myristin, Dynasan 114, Tritetradecanoin, Myristic acid triglyceride, trimyristoylglycerol, Myristin, tri-, Tetradecanoic acid, 1,2,3-propanetriyl ester, 1,2,3-Tritetradecanoylglycerol, Myristic triglyceride, VP 114, 1,2,3-Propanetriol tritetradecanoate, Tracylglycerol(42:0), Glyceryl tritetradecanoate, NSC 4062, UNII-18L31PSR28, tritetradecanoylglycerol, 18L31PSR28, TG(14:0/14:0/14:0), 2,3-di(tetradecanoyloxy)propyl tetradecanoate, NSC-4062, EINECS 209-099-7, 1,2,3-trimyristoylglycerol, Tracylglycerol(14:0/14:0/14:0), TG(42:0), AI3-18153, 1,2,3-tri-myristoyl-glycerol, Tetradecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester, 1,2,3-tritetradecanoyl-glycerol, CHEBI:77391, DTXSID701014651, 1,2,3-tritetradecanoyl-sn-glycerol, MFCD00036229, TAG(14:0/14:0/14:0), TAG(42:0), 2,3-Bis(tetradecanoyloxy)propyl myristate, TRIMYRISTIN (II), TRIMYRISTIN [II], TG 14:0/14:0/14:0, glycerol tritetradecanoate, C45H86O6, 1,2,3-Tritetradecanoyl-rac-glycerol, tri-myristin, Trimyristin (Standard), beta-trimyristin (MMM), TRIMYRISTIN [MI], Myristin, tri- (8CI), SCHEMBL112641, Glyceryl trimyristate, >=99%, 1,2,3-Tritetradecanyolglycerol, HY-N2511R, DTXCID70810991, NSC4062, HY-N2511, LMGL03012616, s9209, AKOS015899781, beta-1,2,3-tri-tetradecanoyl-glycerol, CCG-270410, AC-34679, AS-63167, DA-53617, FT172192, SY052068, Tetradecanoic acid,2,3-propanetriyl ester, CS-0022782, G0088, NS00014185, 1-Myristoyl-2-myristoyl-3-myristoyl-glycerol, Q304581, 1,3-bis(tetradecanoyloxy)propan-2-yl tetradecanoate, 1-Tetradecanoyl-2-tetradecanoyl-3-tetradecanoyl-glycerol, Trimyristin, European Pharmacopoeia (EP) Reference Standard, 209-099-7
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 78.9
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Np Classifier Class Triacylglycerols
Deep Smiles CCCCCCCCCCCCCC=O)OCCOC=O)CCCCCCCCCCCCC))))))))))))))))COC=O)CCCCCCCCCCCCC
Heavy Atom Count 51.0
Classyfire Class Glycerolipids
Description Constituent of nutmegs. Glycerol tritetradecanoate is found in herbs and spices.
Classyfire Subclass Triradylcglycerols
Isotope Atom Count 0.0
Molecular Complexity 711.0
Database Name cmaup_ingredients;fooddb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Enzyme Uniprot Id P16233, P11150, P38571, P54315, Q9NST1, P07098, Q9Y5X9, O75907, P54317, Q92523, P50416, P06858, P23786, Q99685, P23141, P02647, P02649, P04114, P07237, Q3SYC2, P41247, Q96PD7, Q96PD6, Q86VF5
Iupac Name 2,3-di(tetradecanoyloxy)propyl tetradecanoate
Prediction Hob 0.0
Class Glycerolipids
Veber Rule False
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 18.7
Superclass Lipids and lipid-like molecules
Subclass Triradylcglycerols
Gsk 4 400 Rule False
Molecular Formula C45H86O6
Prediction Swissadme 0.0
Inchi Key DUXYWXYOBMKGIN-UHFFFAOYSA-N
Silicos It Class Insoluble
Fcsp3 0.9333333333333332
Logs -4.577
Rotatable Bond Count 44.0
State Solid
Logd 3.229
Synonyms 1-Myristoyl-2-myristoyl-3-myristoyl-glycerol, 1-Tetradecanoyl-2-tetradecanoyl-3-tetradecanoyl-glycerol, 1,2,3-Propanetriol tritetradecanoate, 1,2,3-Propanetriol tritetradecanoic acid, 1,2,3-Trimyristoylglycerol, 1,2,3-Tritetradecanoyl-rac-glycerol, 1,2,3-Tritetradecanoylglycerol, 2,3-Bis(tetradecanoyloxy)propyl myristate, Dynasan 114, Glycerol trimyristate, Glycerol trimyristic acid, Glyceryl trimyristate, Glyceryl trimyristic acid, Glyceryl tritetradecanoate, Glyceryl tritetradecanoic acid, Myristate triglyceride, Myristic acid triglyceride, Myristic triglyceride, Myristin, Myristin, tri-, Myristin, tri- (8CI), TAG(14:0/14:0/14:0), TAG(42:0), Tetradecanoate, 1,2,3-propanetriyl ester, Tetradecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester, Tetradecanoic acid, 1,2,3-propanetriyl ester, TG 14:0/14:0/14:0, TG(14:0/14:0/14:0), TG(42:0), Tracylglycerol(14:0/14:0/14:0), Tracylglycerol(42:0), Tri-myristin, Trimyristin, Trimyristoylglycerol, Tritetradecanoylglycerol, glyceryl trimyristate, myristin, trimyristin, trymyristin
Substituent Name Triacyl-sn-glycerol, Tricarboxylic acid or derivatives, Fatty acid ester, Fatty acyl, Carboxylic acid ester, Ether, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aliphatic acyclic compound
Esol Class Insoluble
Functional Groups COC(C)=O
Compound Name Trimyristin
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 722.642
Formal Charge 0.0
Monoisotopic Mass 722.642
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 723.2
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 False
Esol -13.1943974
Inchi InChI=1S/C45H86O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-43(46)49-40-42(51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h42H,4-41H2,1-3H3
Smiles CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC
Nring 8.0
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 0.0
Egan Rule False
Np Classifier Superclass Glycerolipids

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