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2,3-Dihydroxypropyl hexadecanoate

PubChem CID: 14900

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Compound Synonyms 542-44-9, Monopalmitin, 1-Palmitoyl-rac-glycerol, 1-Monopalmitin, GLYCERYL PALMITATE, 2,3-dihydroxypropyl hexadecanoate, 1-Palmitoylglycerol, 19670-51-0, Glycerol 1-monopalmitate, Glycerol 1-palmitate, Glycerol 3-palmitate, 2,3-Dihydroxypropyl palmitate, 1-Monopalmitoylglycerol, Palmitin, 1-mono-, alpha-Monopalmitin, DL-alpha-Palmitin, Hexadecanoic acid, 2,3-dihydroxypropyl ester, 1-Monohexadecanoyl-rac-glycerol, .alpha.-Monopalmitin, 1-hexadecanoyl-rac-glycerol, Palmitic acid .alpha.-monoglyceride, 1-Glyceryl monohexadecanoate, glyceryl 1-palmitate, 26657-96-5, Glycerol monopalmitate, Palmitic acid alpha-monoglyceride, 1-Glycerol hexadecanoate, NSC 404240, MG(16:0/0:0/0:0)[rac], U9H9OM3S75, CHEBI:69081, NSC404240, NSC-404240, 1-Monohexadecanoylglycerol, 2,3-Dihydroxypropyl hexadecanoate(Chunks or pellets), 1-palmitoyl-glycerol, MG(16:0), glycerol 1-monohexadecanoate, rac-1-Palmitoylglycerol, 3-Palmitoyl-rac-glycerol, rac-Glycerol 1-palmitate, Hexadecanoic acid, monoester with 1,2,3-propanetriol, UNII-U9H9OM3S75, MG 16:0, DL--Palmitin, Palmitin, 1-mono, (S)-2,3-Dihydroxypropyl palmitate, (1)-2,3-Dihydroxypropyl palmitate, EINECS 208-812-9, EINECS 243-218-3, EINECS 251-283-4, EINECS 268-083-8, D,L-alpha-Palmitin, (+-)-2,3-dihydroxypropyl palmitate, 1-palmitoyl glycerol, 1-hexadecanoylglycerol, rac-alpha-monopalmitin, rac-glyceryl palmitate, (+-)-2,3-Dihydroxypropyl hexadecanoate, 1-Monopalmitate Glycerol, (+-)-alpha-monopalmitin, (+-)-glyceryl palmitate, DL-1-MONOPALMITIN, (+/-)-1-monopalmitin, Glycerol .alpha.-palmitate, rac-1-monopalmitoylglycerol, EC 268-083-8, Glycerol alpha-Monopalmitate, rac-glycerol 1-monopalmitate, SCHEMBL74863, (+-)--glycerol 1-palmitate, (+-)-1-monopalmitoylglycerol, DL-alpha-Palmitin, >=99%, (+-)-glycerol 1-monopalmitate, CHEMBL1078140, CHEBI:75811, DTXSID00891470, rac-2,3-dihydroxypropyl palmitate, (.+/-.)-1-Hexadecanoylglycerol, BBA65796, BCP30618, MAG 16:0, LMGL01010001, MFCD00042734, rac-palmitic acid alpha-monoglyceride, rac-2,3-dihydroxypropyl hexadecanoate, AKOS015902112, (+/-)-1-HEXADECANOYLGLYCEROL, CCG-214232, FP26736, SB48400, (+-)-palmitic acid alpha-monoglyceride, (+/-)-1-O-HEXADECANOYLGLYCEROL, Hexadecanoic acid,3-dihydroxypropyl ester, NCGC00186665-01, AS-49753, DA-69564, Hexadecanoic acid 2,3-dihydroxypropyl ester, (.+/-.)-2,3-Dihydroxypropyl hexadecanoate, G0083, NS00010577, L10008, A870508, SR-05000002594, SR-05000002594-1, BRD-A80928489-001-01-0, Q27887716, Hexadecanoic acid, 2,3-dihydroxypropyl ester, (+/-)-, Hexadecanoic acid, 2,3-dihydroxypropyl ester, (A+/-)-, 1-Monopalmitin, Glyceryl palmitate, 1-Palmitoyl-rac-glycerol, 1-Palmitoylglycerol
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)OCCCO))O
Heavy Atom Count 23.0
Classyfire Class Glycerolipids
Description Minor component of olive oil and other vegetable oils. Glycerol 1-hexadecanoate is found in fats and oils.
Classyfire Subclass Monoradylglycerols
Isotope Atom Count 0.0
Molecular Complexity 256.0
Database Name cmaup_ingredients;fooddb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id n.a.
Iupac Name 2,3-dihydroxypropyl hexadecanoate
Prediction Hob 0.0
Class Glycerolipids
Veber Rule False
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 6.3
Superclass Lipids and lipid-like molecules
Subclass Monoradylglycerols
Gsk 4 400 Rule False
Molecular Formula C19H38O4
Prediction Swissadme 0.0
Inchi Key QHZLMUACJMDIAE-UHFFFAOYSA-N
Silicos It Class Moderately soluble
Fcsp3 0.9473684210526316
Rotatable Bond Count 18.0
Synonyms (+-)-2,3-Dihydroxypropyl hexadecanoate, (1)-2,3-Dihydroxypropyl palmitate, (C16-C22)Trialkyl glyceride, (S)-2,3-Dihydroxypropyl palmitate, &alpha, -monopalmitin, 1-hexadecanoyl-sn-glycerol, 1-Mono-palmitin, 1-Monohexadecanoyl-rac-glycerol, 1-monohexadecanoylglycerol, 1-Monopalmitin, 1-MONOPALMITOYL-rac-GLYCEROL, 1-Monopalmitoylglycerol, 1-O-Hexadecanoylglycerol, 1-Palmitoylglycerol, 1,2,3-Propanetriol 1-hexandecanoyl ester, 2,3-Dihydroxypropyl ester(.+/-.)-hexadecanoic acid, 2,3-dihydroxypropyl hexadecanoate, 2,3-Dihydroxypropyl palmitate, a-Monopalmitin, alpha -Monopalmitin, Alpha-monopalmitin, DL-alpha-palmitin, Glycerides, C16-22, Glycerol &alpha, -palmitate, glycerol 1-monohexadecanoate, Glycerol 1-monopalmitate, Glycerol 1-palmitate, Glycerol 3-palmitate, Glycerol alpha -palmitate, Glycerol palmitate, Glyceryl monopalmitate, Glyceryl palmitate, hexadecanoic acid, 2,3-bishydroxy propyl ester, Hexadecanoic acid, 2,3-dihydroxypropyl ester, Hexadecanoic acid, 2,3-dihydroxypropyl ester, (.+/-.)-, Hexadexanoic acid 2,3-dihydroxypropyl ester, L-(-)-alpha-monopalmitin, Monopalmitin, Palmitic acid &alpha, -monoglyceride, Palmitic acid alpha -monoglyceride, Palmitic acid alpha-monoglyceride, Palmitin, 1-mono-, Palmitin, 1-mono- (8CI), Palmitoyl glycerol, rac-1-Palmitoylglycerol, rac-Glycerol 1-palmitate, glycerol monopalmitate, monopalmitin, palmitic acid alpha-monoglyceride, palmitic acid-α-monoglyceride
Substituent Name 1-acyl-sn-glycerol, Fatty acid ester, Fatty acyl, Saccharide, Secondary alcohol, Carboxylic acid ester, 1,2-diol, 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 2,3-Dihydroxypropyl hexadecanoate
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 1.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -4.6890558
Inchi InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3
Smiles CCCCCCCCCCCCCCCC(=O)OCC(CO)O
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Glycerolipids

  • 1. Outgoing r'ship FOUND_IN to/from Abelmoschus Manihot (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Aconitum Carmichaelii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Albizia Julibrissin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Asparagus Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Boswellia Carterii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Brassica Rapa (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/19336936
  • 7. Outgoing r'ship FOUND_IN to/from Changium Smyrnioides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Chlamydomonas Reinhardtii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Citrus Medica (Plant) Rel Props:Source_db:npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Clerodendrum Trichotomum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Euphorbia Micractina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Helianthus Annuus (Plant) Rel Props:Reference:ISBN:9788172361792
  • 13. Outgoing r'ship FOUND_IN to/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Neolitsea Daibuensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Phytolacca Acinosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 17. Outgoing r'ship FOUND_IN to/from Rheum Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Rheum Palmatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Rheum Tanguticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 20. Outgoing r'ship FOUND_IN to/from Senna Obtusifolia (Plant) Rel Props:Reference:ISBN:9788185042145
  • 21. Outgoing r'ship FOUND_IN to/from Senna Occidentalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Senna Tora (Plant) Rel Props:Reference:ISBN:9788172362089
  • 23. Outgoing r'ship FOUND_IN to/from Trichosanthes Rosthornii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 24. Outgoing r'ship FOUND_IN to/from Typha Angustata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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