Tripalmitin
PubChem CID: 11147
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| Compound Synonyms | TRIPALMITIN, 555-44-2, Glycerol tripalmitate, Glyceryl tripalmitate, Propane-1,2,3-triyl tripalmitate, Tripalmitoylglycerol, Palmitic triglyceride, Tripalmitate, Dynasan 116, Triglyceryl palmitate, Barolub, Spezialfett 116, Glyceryl trihexadecanoate, Barolub LCD, Palmitin, tri-, Hexadecanoic acid, 1,2,3-propanetriyl ester, Speziafett 116, Palmitic acid triglycerin ester, Tripalmitin [INN], Glycerin tripalmitate, Dynosan 114, tripalmitina, tripalmitine, CCRIS 6992, 1,2,3-Propanetriol trihexadecanoate, EINECS 209-098-1, UNII-D133ZRF50U, BRN 1811188, D133ZRF50U, trihexadecanoylglycerol, 1,2,3-trihexadecanoyl-glycerol, DTXSID8046169, CHEBI:77393, AI3-31759, TG(16:0/16:0/16:0), 1,2,3-trihexadecanoyl-sn-glycerol, Hexadecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester, 1,2,3-propanetriyl trihexadecanoate, MFCD00008995, propane-1,2,3-triyl trihexadecanoate, 1,2,3-trihexadecanoylglycerol, DTXCID6026169, 4-02-00-01176 (Beilstein Handbook Reference), NCGC00160468-01, Tripalmitoyl glycerol, tripalmitinum, 2,3-di(hexadecanoyloxy)propyl hexadecanoate, Triglyceride PPP, tripalmitylglycerol, Glyceryltripalmitate, glycero-tripalmitate, TRIPALMITIN [MI], Glyceryl trihexadecanoic acid, SCHEMBL24941, Tripalmitin or 1,2,3-propanetriyl trihexadecanoate, Glycerol tripalmitate,97.5%, Glyceryl tripalmitate, >=85%, Glyceryl tripalmitate, >=99%, CHEMBL2002154, HY-W013061R, Tox21_111834, LMGL03010001, AKOS015899780, CS-W013777, FG11067, HY-W013061, 2,3-Bis(palmitoyloxy)propyl palmitate #, NCGC00160468-02, Tripalmitin, NIST(R) SRM(R) 1595, AS-60925, CAS-555-44-2, FG179174, SY048302, G0091, G0213, NS00014187, T3096, Propane-1,2,3-triyl tripalmitate (Standard), D90728, 1,3-bis(hexadecanoyloxy)propan-2-yl hexadecanoate, SR-01000944841, Q7843226, SR-01000944841-1, TG 16:0/16:0/16:0, 209-098-1 |
|---|---|
| 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 | CCCCCCCCCCCCCCCC=O)OCCOC=O)CCCCCCCCCCCCCCC))))))))))))))))))COC=O)CCCCCCCCCCCCCCC |
| Heavy Atom Count | 57.0 |
| Pathway Kegg Map Id | map00561 |
| Classyfire Class | Glycerolipids |
| Description | Present in palm oil TG(16:0/16:0/16:0) or Tripalmitin is a monoacid triglyceride. Triglycerides (TGs) are also known as triacylglycerols or triacylglycerides. TGs are fatty acid triesters of glycerol and may be divided into three general types with respect to their acyl substituents. They are simple or monoacid if they contain only one type of fatty acid, diacid if they contain two types of fatty acids and triacid if three different acyl groups. Chain lengths of the fatty acids in naturally occurring triglycerides can be of varying lengths and saturations but 16, 18 and 20 carbons are the most common. TGs are the main constituent of vegetable oil and animal fats. TGs are major components of very low density lipoprotein (VLDL) and chylomicrons, play an important role in metabolism as energy sources and transporters of dietary fat. They contain more than twice the energy (9 kcal/g) of carbohydrates and proteins. In the intestine, triglycerides are split into glycerol and fatty acids (this process is called lipolysis) (with the help of lipases and bile secretions), which can then move into blood vessels. The triglycerides are rebuilt in the blood from their fragments and become constituents of lipoproteins, which deliver the fatty acids to and from fat cells among other functions. Various tissues can release the free fatty acids and take them up as a source of energy. Fat cells can synthesize and store triglycerides. When the body requires fatty acids as an energy source, the hormone glucagon signals the breakdown of the triglycerides by hormone-sensitive lipase to release free fatty acids. As the brain cannot utilize fatty acids as an energy source, the glycerol component of triglycerides can be converted into glucose for brain fuel when it is broken down. (www.cyberlipid.org, www.wikipedia.org), , TAGs can serve as fatty acid stores in all cells, but primarily in adipocytes of adipose tissue. The major building block for the synthesis of triacylglycerides, in non-adipose tissue, is glycerol. Adipocytes lack glycerol kinase and so must use another route to TAG synthesis. Specifically, dihydroxyacetone phosphate (DHAP), which is produced during glycolysis, is the precursor for TAG synthesis in adipose tissue. DHAP can also serve as a TAG precursor in non-adipose tissues, but does so to a much lesser extent than glycerol. The use of DHAP for the TAG backbone depends on whether the synthesis of the TAGs occurs in the mitochondria and ER or the ER and the peroxisomes. The ER/mitochondria pathway requires the action of glycerol-3-phosphate dehydrogenase to convert DHAP to glycerol-3-phosphate. Glycerol-3-phosphate acyltransferase then esterifies a fatty acid to glycerol-3-phosphate thereby generating lysophosphatidic acid. The ER/peroxisome reaction pathway uses the peroxisomal enzyme DHAP acyltransferase to acylate DHAP to acyl-DHAP which is then reduced by acyl-DHAP reductase. The fatty acids that are incorporated into TAGs are activated to acyl-CoAs through the action of acyl-CoA synthetases. Two molecules of acyl-CoA are esterified to glycerol-3-phosphate to yield 1,2-diacylglycerol phosphate (also known as phosphatidic acid). The phosphate is then removed by phosphatidic acid phosphatase (PAP1), to generate 1,2-diacylglycerol. This diacylglycerol serves as the substrate for addition of the third fatty acid to make TAG. Intestinal monoacylglycerols, derived from dietary fats, can also serve as substrates for the synthesis of 1,2-diacylglycerols. Glycerol trihexadecanoate is found in fats and oils. |
| Classyfire Subclass | Triradylcglycerols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 798.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Enzyme Uniprot Id | P16233, P11150, P54315, Q9NST1, P07098, Q9Y5X9, O75907, P54317, P06858, Q99685, P23141, P07237, Q3SYC2, P41247, Q96PD7, Q96PD6, Q86VF5, Q53EU6, Q96AD5, Q17RR3 |
| Uniprot Id | P25094 |
| Iupac Name | 2,3-di(hexadecanoyloxy)propyl hexadecanoate |
| Prediction Hob | 0.0 |
| Class | Glycerolipids |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 21.9 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Triradylcglycerols |
| Gsk 4 400 Rule | False |
| Molecular Formula | C51H98O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PVNIQBQSYATKKL-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Fcsp3 | 0.9411764705882352 |
| Logs | -7.865 |
| Rotatable Bond Count | 50.0 |
| State | Solid |
| Logd | 6.045 |
| Synonyms | 1,2,3-Propanetriol trihexadecanoate, 1,2,3-Propanetriol trihexadecanoic acid, 1,2,3-Propanetriyl hexadecanoate, 9CI, 1,2,3-Propanetriyl trihexadecanoate, 1,2,3-Propanetriyl trihexadecanoic acid, 1,2,3-trihexadecanoyl-sn-glycerol, 1,2,3-Trihexadecanoylglycerol, 2,3-Bis(palmitoyloxy)propyl palmitate, Barolub, Barolub LCD, Dynasan 116, Dynosan 114, Glycerin tripalmitate, Glycerin tripalmitic acid, Glycerol tripalmitate, Glycerol tripalmitic acid, Glyceryl trihexadecanoate, Glyceryl trihexadecanoic acid, Glyceryl tripalmitate, Glyceryl tripalmitic acid, Hexadecanoate, 1,2,3-propanetriyl ester, Hexadecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester, Hexadecanoic acid, 1,2,3-propanetriyl ester, Palmitate triglycerin ester, Palmitic acid triglycerin ester, Palmitic triglyceride, Palmitin, Palmitin, tri-, Speziafett 116, Spezialfett 116, TG 16:0/16:0/16:0, TG(16:0/16:0/16:0), Triglyceride PPP, Triglyceryl palmitate, Triglyceryl palmitic acid, Trihexadecanoylglycerol, Tripalmitate, Tripalmitin, Tripalmitin [inn], Tripalmitin or 1,2,3-propanetriyl trihexadecanoate, Tripalmitin, INN, Tripalmitoylglycerol, tripalmitin |
| 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 | Tripalmitin |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 806.736 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 806.736 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 807.3 |
| 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 | -15.367701799999995 |
| Inchi | InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3 |
| Smiles | CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Glycerolipids |
- 1. Outgoing r'ship
FOUND_INto/from Alstonia Muelleriana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Artemisia Cina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Artemisia Lactiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Attalea Excelsa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Buchanania Cochinchinensis (Plant) Rel Props:Reference:ISBN:9770972795006 - 6. Outgoing r'ship
FOUND_INto/from Catalpa Ovata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Citrus Hassaku (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Coreopsis Nodosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Coutarea Latifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Crepidiastrum Sonchifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Dacrydium Cupressinum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Dipsacus Asper (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Duguetia Calycina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Eriostemon Spicatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Garcinia Pyrifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Glycine Tomentella (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Greenwayodendron Oliveri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Haematococcus Lacustris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Hymenothrix Wislizenii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 20. Outgoing r'ship
FOUND_INto/from Jacaranda Chelonia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 21. Outgoing r'ship
FOUND_INto/from Nicotiana Undulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 22. Outgoing r'ship
FOUND_INto/from Ophryosporus Floribundus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 23. Outgoing r'ship
FOUND_INto/from Panax Schinseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 24. Outgoing r'ship
FOUND_INto/from Passiflora Incarnata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 25. Outgoing r'ship
FOUND_INto/from Payena Lucida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 26. Outgoing r'ship
FOUND_INto/from Phalaris Canariensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 27. Outgoing r'ship
FOUND_INto/from Plumbagella Micrantha (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 28. Outgoing r'ship
FOUND_INto/from Pteridium Aquilinum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 29. Outgoing r'ship
FOUND_INto/from Rivina Humilis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 30. Outgoing r'ship
FOUND_INto/from Samadera Indica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 31. Outgoing r'ship
FOUND_INto/from Senecio Paludaffinis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 32. Outgoing r'ship
FOUND_INto/from Tanacetum Parthenifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 33. Outgoing r'ship
FOUND_INto/from Trigonella Grandiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 34. Outgoing r'ship
FOUND_INto/from Tripolium Pannonicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 35. Outgoing r'ship
FOUND_INto/from Uvaria Calamistrata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all