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Glyceryl Trioleate

PubChem CID: 5497163

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Compound Synonyms Triolein, GLYCERYL TRIOLEATE, Glycerol trioleate, 122-32-7, Glycerol triolein, Oleic triglyceride, Trioleoylglycerol, Oleic acid triglyceride, Olein, Trioleoylglyceride, Glycerin trioleate, Oleyl triglyceride, Raoline, Aldo TO, Glyceryl-1,2,3-trioleate, Olein, tri-, Emery 2423, Emery oleic acid ester 2230, Glycerol, tri(cis-9-octadecenoate), HSDB 5594, 1,2,3-Propanetriyl trioleate, 1,2,3-tri-(9Z-octadecenoyl)-glycerol, Triglyceride OOO, 9-Octadecenoic acid (Z)-, 1,2,3-propanetriyl ester, EINECS 204-534-7, 9-Octadecenoic acid (9Z)-, 1,2,3-propanetriyl ester, Edenor NHTi-G, Kaolube 190, CCRIS 8687, sn-Glyceryl trioleate, 1,2,3-Tri(cis-9-octadecenoyl)glycerol, Actor LO 1, Kemester 1000, UNII-O05EC62663, CHEBI:53753, Emerest 2423, 1,2,3-Propanetriol tri(9-octandecenoate), Estol 1433, Radia 7363, 9-Octadecenoic acid, 1,2,3-propanetriyl ester, TG(18:1(9Z)/18:1(9Z)/18:1(9Z)), O05EC62663, 1,2,3-tri-oleoyl-glycerol, propane-1,2,3-triyl (9Z,9'Z,9''Z)tris-octadec-9-enoate, DTXSID3026988, 2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl (Z)-octadec-9-enoate, EC 204-534-7, (9Z)9-Octadecenoic acid 1,2,3-propanetriyl ester, MFCD00137563, TRIOLEIN (USP-RS), TRIOLEIN [USP-RS], (Z)-9-Octadecenoic acid, 1,2,3-propanetriyl ester, GLYCERYL TRIOLEATE (II), GLYCERYL TRIOLEATE [II], GLYCERYL TRIOLEATE (MART.), GLYCERYL TRIOLEATE [MART.], Glycerine Trioleate (Technical Grade), Trioleyl Glycerol, TG 54:3, Trioleate Glycerin, Trioleate-Glycerin, Glycerol, Trioleyl, Trioleate, Glycerol, propane-1,2,3-triyl tris((9Z)-octadec-9-enoate), propane-1,2,3-triyl tris[(9Z)-octadec-9-enoate], tri-Olein, 9-Octadecenoic-9,10-t2 acid, 1,2,3-propanetriyl ester, (Z,Z,Z)- (9CI), Glycerol trioleate, , Triolein (Standard), triolein C18:1, Triolein, tech grade, GLYCERYLTRIOLEATE, TRIOLEIN [MI], tri(cis-9-octadecenoate), Epitope ID:117714, TRIOLEIN [WHO-DD], 1,2,3-propanetriyl ester, Glyceryl trioleate, ~65%, SCHEMBL23730, Glyceryl trioleate, >=99%, DTXCID006988, 1,3-bis[(9Z)-octadec-9-enoyloxy]propan-2-yl (9Z)-octadec-9-enoate, CHEMBL4297656, HY-N1981R, GLYCERYL TRIOLEATE [HSDB], GLYCERYL TRIOLEATE [VANDF], GLYCERYL TRIOLEATE [WHO-DD], HY-N1981, Triolein, [9,10-3H(N)]-, LMGL03010250, s3590, AKOS024437536, Triolein (mixture of Triacylglycerins), DB13038, FT41656, FT75004, Glyceryl trioleate, >=97.0% (TLC), 1,2,3-tri-(9Z-octadecenoyl)-sn-glycerol, CS-0018302, G0089, NS00002311, Glyceryl trioleate, technical, >=60% (GC), (Z)-1,2,3-propanetriyl ester 9-Octadecenoate, (9Z)-1,2,3-propanetriyl ester 9-Octadecenoate, Glyceryl trioleate, analytical reference material, Q413929, (9Z)-1,2,3-propanetriyl ester 9-Octadecenoic acid, (Z)-1,2,3-propanetriyl ester 9-Octadecenoic acid, AC7B54B8-0E34-455F-A1E0-442F3ECD69EA, Triolein, European Pharmacopoeia (EP) Reference Standard, TG(18:1(9Z)/18:1(9Z)/18:1(9Z))[iso], (9Z)-1,1',1''-(1,2,3-propanetriyl) ester 9-Octadecenoate, Triolein - Technical grade (mixture with monoester and diester), (9Z)-1,1',1''-(1,2,3-propanetriyl) ester 9-Octadecenoic acid, 9-octadecenoic acid, 1,2,3-propanetriyl ester, (9Z,9'Z,9''Z)-, 204-534-7
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 CCCCCCCC/C=CCCCCCCCC=O)OCCOC=O)CCCCCCC/C=CCCCCCCCC))))))))))))))))))))COC=O)CCCCCCC/C=CCCCCCCCC
Heavy Atom Count 63.0
Classyfire Class Glycerolipids
Classyfire Subclass Triradylcglycerols
Isotope Atom Count 0.0
Molecular Complexity 1010.0
Database Name cmaup_ingredients;fooddb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl (Z)-octadec-9-enoate
Prediction Hob 0.0
Veber Rule False
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 22.4
Gsk 4 400 Rule False
Molecular Formula C57H104O6
Prediction Swissadme 0.0
Inchi Key PHYFQTYBJUILEZ-IUPFWZBJSA-N
Silicos It Class Soluble
Fcsp3 0.8421052631578947
Logs -0.77
Rotatable Bond Count 53.0
Logd 6.917
Synonyms triolein, triolein (26.3%)
Esol Class Soluble
Functional Groups C/C=CC, COC(C)=O
Compound Name Glyceryl Trioleate
Prediction Hob Swissadme 0.0
Exact Mass 884.783
Formal Charge 0.0
Monoisotopic Mass 884.783
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 885.4
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 3.0
Lipinski Rule Of 5 False
Esol -15.937508599999994
Inchi InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-
Smiles CCCCCCCC/C=C\CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC
Nring 0.0
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 3.0
Egan Rule False
Np Classifier Superclass Glycerolipids

  • 1. Outgoing r'ship FOUND_IN to/from Aleurites Cordata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Brucea Javanica (Plant) Rel Props:Reference:ISBN:9788172360481; ISBN:9788185042114
  • 3. Outgoing r'ship FOUND_IN to/from Buchanania Cochinchinensis (Plant) Rel Props:Reference:ISBN:9770972795006
  • 4. Outgoing r'ship FOUND_IN to/from Entada Rheedii (Plant) Rel Props:Reference:ISBN:9788185042084
  • 5. Outgoing r'ship FOUND_IN to/from Litsea Monopetala (Plant) Rel Props:Reference:ISBN:9788172363130
  • 6. Outgoing r'ship FOUND_IN to/from Myristica Fragrans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Pelargonium Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Pinus Gerardiana (Plant) Rel Props:Reference:ISBN:9788190595216
  • 9. Outgoing r'ship FOUND_IN to/from Sapindus Mukorossi (Plant) Rel Props:Reference:ISBN:9788172360818
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